PATENT CLAIM ANALYSIS

Application Number: 16009030
Application Type: Utility
Filing Date: 2018-06
Publication Date: 2018-11
Patent Classification: ["544", "134000"]

Abstract:
This invention relates to inhibitors of mitotic kinesins, particularly KSP, and methods for producing these inhibitors.

Claim (Index 1):
A compound of the Formula: and resolved enantiomers, diastereomers, racemic mixtures and pharmaceutically acceptable salts thereof, wherein: X is S, R is Z\u2014NR 2 R 3 , or Z\u2014OH; R 1  is alkyl, alkenyl, alkynyl, aryl, heteroaryl, saturated or partially unsaturated cycloalkyl, saturated or partially unsaturated heterocycloalkyl, \u2014OR 3 , \u2014NR 4 OR 5 , CR b (\u2550NOR c ), C(\u2550O)R a , or \u2014NR 4 R 5 , wherein said alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl, and heterocycloalkyl are optionally substituted with one or more groups independently selected from oxo (with the proviso that it is not substituted on said aryl or heteroaryl), halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , \u2014NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014OCH 2 C(\u2550O)OR a , \u2014NR b C(\u2550O)OR d , \u2014NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , \u2014NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014NR c C(NCN)NR a R b , \u2014OR a , \u2014OP(\u2550O)(OR a ) 2 , alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocyclyl and heterocyclylalkyl; Ar 1  is phenyl and Ar 2  is thiophenyl, wherein said aryl and thiophenyl are optionally substituted with one or more groups independently selected from F, Cl, Br, I, cyano, nitro, alkyl, alkenyl, alkynyl, saturated or partially unsaturated cycloalkyl, saturated or partially unsaturated heteorcycloalkyl, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, OR a , \u2014O(C\u2550O)OR d , \u2014OP(\u2550O)(OR a )(OR a ), NR a R b , \u2014NR b SO 2 R d , \u2014SO 2 NR a R b , SR 6 , SOR 6 , SO 2 R 6 , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014OCH 2 C(\u2550O)OR a , \u2014NR b C(\u2550O)OR d , NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b  and \u2014NR c C(\u2550O)NR a R b ; R 2  is hydrogen, \u2014C(\u2550O)R 4 , \u2014SO 2 R 6 , alkyl, alkenyl, alkynyl, saturated or partially unsaturated cycloalkyl, a natural or unnatural amino acid, or a polypeptide of two or more amino acids independently selected from natural and unnatural amino acids, wherein said alkyl, alkenyl, alkynyl, and cycloalkyl are optionally substituted with one or more groups independently selected from oxo, halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , \u2014NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014NR b C(\u2550O)OR d , \u2014NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014OR a , alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, cycloalkynyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl; R 3  is hydrogen, \u2014C(\u2550O)R 4 , alkyl, alkenyl, alkynyl, or saturated or partially unsaturated cycloalkyl, wherein said alkyl, alkenyl, alkynyl, and cycloalkyl are optionally substituted with one or more groups independently selected from oxo (with the proviso that it is not substituted on said aryl or heteroaryl), halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , \u2014OP(\u2550O)(OR a ) 2 , \u2014NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014NR b C(\u2550O)OR d , NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , \u2014NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014OR a , alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, cycloalkynyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl, or R 2  and R 3  together with the nitrogen atom to which they are attached form a saturated or partially unsaturated heterocyclic ring which may include 1 to 3 additional heteroatoms, in addition to the nitrogen atom to which said R 2  and R 3  are attached, selected from N, O and S, wherein said heterocyclic ring is optionally substituted with one or more groups independently selected from oxo, halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014NR b C(\u2550O)OR d , NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , \u2014NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014OR a , alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl; R 4  and R 5  are independently H, trifluoromethyl, difluoromethyl, fluoromethyl, alkyl, alkenyl, alkynyl, saturated or partially unsaturated cycloalkyl, saturated or partially unsaturated heterocycloalkyl, aryl or heteroaryl, wherein said alkyl, alkenyl, alkynyl, cycloalkyl, heterocycloalkyl, aryl and heteroaryl are optionally substituted with one or more groups independently selected from oxo (with the proviso that it is not substituted on said aryl or heteroaryl), halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014NR b C(\u2550O)OR d , \u2014NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , \u2014NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014NR c C(NCN)NR a R b , \u2014OR a , alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl, or R 4  and R 5  together with the atoms to which they are attached form a saturated or partially unsaturated heterocyclic ring which may include 1 to 3 additional heteroatoms, in addition to the heteroatoms to which said R 4  and R 5  are attached, selected from N, O and S, wherein said heterocyclic ring is optionally substituted with one or more groups independently selected from oxo, halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , \u2014NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014NR b C(\u2550O)OR d , \u2014N R b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , \u2014NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014NR c C(NCN)NR a R b , \u2014OR a , alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl; R 6  is alkyl, alkenyl, alkynyl, heteroalkyl, heteroalkenyl, heteroalkynyl, saturated or partially unsaturated cycloalkyl, saturated or partially unsaturated heterocycloalkyl, aryl or heteroaryl, wherein said alkyl, alkenyl, alkynyl, heteroalkyl, heteroalkenyl, heteroalkynyl, cycloalkyl, heterocycloalkyl, aryl and heteroaryl are optionally substituted with one or more groups independently selected from oxo (with the proviso that it is not substituted on said aryl or heteroaryl), halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , \u2014NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014NR b C(\u2550O)OR d , \u2014NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , \u2014NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014NR c C(NCN)NR a R b , \u2014OR a , alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl; R a  is hydrogen, trifluoromethyl, alkyl, alkenyl, alkynyl, saturated or partially unsaturated cycloalkyl, cycloalkylalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, heterocycloalkyl or saturated or partially unsaturated heterocyclylalkyl, wherein said alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl are optionally substituted with one or more groups independently selected from oxo (with the proviso that it is not substituted on said aryl or heteroaryl), halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR h , \u2014NR f SO 2 R f , \u2014SO 2 NR e R f , \u2014C(\u2550O)R e , \u2014C(\u2550O)OR e , \u2014OC(\u2550O)R e , \u2014NR f C(\u2550O)OR h , NR f C(\u2550O)R e , \u2014C(\u2550O)NR e R f , \u2014NR e R f , \u2014NR g C(\u2550O)NR e R f , \u2014NR c C(NCN)NR e R f , \u2014OR e , alkyl, alkenyl, alkynyl, saturated or partially unsaturated cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, saturated or partially unsaturated heterocycloalkyl and heterocyclylalkyl; R b , R c , R f  and R g  are independently hydrogen or alkyl, or R a  and R b  together with the atom to which they are attached form a 4 to 10 membered saturated or partially unsaturated heterocyclic ring which may include 1 to 3 additional heteroatoms, in addition to the nitrogen atom to which said R a  and R b  are attached, selected from N, O and S; R d  and R h  are independently trifluoromethyl, alkyl, saturated or partially unsaturated cycloalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, saturated or partially unsaturated heterocycloalkyl or heterocyclylalkyl; R e  is hydrogen, trifluoromethyl, alkyl, alkenyl, alkynyl, saturated or partially unsaturated cycloalkyl, cycloalkylalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, saturated or partially unsaturated heterocycloalkyl or heterocyclylalkyl; and Z is alkylene having from 1 to 6 carbons, or alkenylene or alkynylene each having from 2 to 6 carbons, wherein said alkylene, alkenylene and alkynylene are optionally substituted with one or more groups independently selected from oxo, halogen, cyano, nitro, trifluoromethyl, difluoromethyl, fluoromethyl, fluoromethoxy, difluoromethoxy, trifluoromethoxy, azido, \u2014O(C\u2550O)OR d , \u2014NR b SO 2 R d , \u2014SO 2 NR a R b , \u2014C(\u2550O)R a , \u2014C(\u2550O)OR a , \u2014OC(\u2550O)R a , \u2014NR b C(\u2550O)OR d , NR b C(\u2550O)R a , \u2014C(\u2550O)NR a R b , \u2014NR a R b , \u2014NR c C(\u2550O)NR a R b , \u2014OR a , alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, heterocycloalkyl and heterocyclylalkyl.

Metadata:
- Claim Count in Document: 12.0
- Percentile: 94.0
- Lexical Diversity: 1.11765
- Patent Class: 544.0
- Transitional Phrase Type: none
- Component Type: 0
- Foreign Priority: False
- Related Applications: ['15357613', '14679866', '12043456', '13093729', '14099276']

Analysis Scores:
- 35 USC 101 Eligibility (BERT): 0.8657195697349889
- 35 USC 102 Novelty (BERT): 0.6279335408499237
- Combined Prediction Score: 0.8419409668464823
- Mean Citation Score: 575.379454
- Max Citation Score: 581.6764
- Similarity Product: 571.4499553417205

Labels:
- Claim Label 101: 1
- Claim Label 102: 1
- Claim Label 103: 0
- Claim Label 112: 0
- Combined Label: 1
- Label 101 Adjusted: 1

Dataset: test