SCHEMBL121887

SCHEMBL121887

CN(C)C=Cc1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.54
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
TRPV4 Q9HBA0 2/20 0.34
P4HB P07237 1/20 0.33
PTGS2 P35354 1/20 0.33
CCNT1 O60563 1/20 0.32
FLT3 P36888 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
PIK3R1 P27986 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SCN9A Q15858 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
APP P05067 1/20 0.32
CASP3 P42574 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL232368 1.00 RAD51 (0.54) RAD51CYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL122510 0.80 RAD51 (0.53) RAD51PIK3CDPIK3CAPIK3CBTRPV4
SCHEMBL170120 0.75 RAD51 (0.37) RAD51CYP11B1CYP11B2P4HBAPP
SCHEMBL2464723 0.75 ALDH1A1 (0.43) RAD51CYP11B1CYP11B2APPCASP3
SCHEMBL2886893 0.75 ALDH1A1 (0.43) RAD51CYP11B1CYP11B2APPCASP3
SCHEMBL395034 0.74 RAD51 (0.36) RAD51APP
SCHEMBL395035 0.74 RAD51 (0.36) RAD51APP
SCHEMBL12653177 0.73 AR (0.43) RAD51APP
SCHEMBL1799897 0.72 VCAM1 (0.51) RAD51PTGS2
SCHEMBL6614751 0.72 VCAM1 (0.51) RAD51PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472803-B2 7-substituted 1-aryl-naphthyridine-3-carboxylic acid amides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2022-10-18 US disclosed
US-11337973-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines as prolyl endopeptidase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-24 US disclosed
US-20220089591-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2022-03-24 US disclosed
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-10927109-B2 7-substituted 1-aryl-naphthyridine-3-carboxylic acid amides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-02-23 US disclosed
US-20200375986-A1 SUBSTITUTED 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONES AND USE OF SAME BAYER AKTIENGESELLSCHAFT (DE) 2020-12-03 US disclosed
US-20200339567-A1 SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 US disclosed
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 US disclosed
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-21 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110028479-A1 SUBSTITUTED PYRROLOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-02-03 US disclosed
CN-101903356-A 4- (4-cyano-2-thioaryl) dihydropyrimidinones and their use BAYER HEALTHCARE AG 2010-12-01 CN disclosed
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
EP-2234985-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed
US-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
WO-2009135599-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-12 WO disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200375986-A1 SUBSTITUTED 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONES AND USE OF SAME PREP, SERPINB1, PEPD RAD51 4586/4885CYP11B1 854/4885CYP11B2 537/4885
US-11337973-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines as prolyl endopeptidase inhibitors PREP, PEPD, SERPINB1 RAD51 4748/4885CYP11B1 728/4885CYP11B2 608/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 RAD51 4049/4885CYP11B1 1174/4885CYP11B2 356/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 RAD51 4049/4885CYP11B1 1174/4885CYP11B2 356/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX RAD51 4002/4885CYP11B1 906/4885CYP11B2 295/4885
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 RAD51 2426/4885CYP11B1 16/4885CYP11B2 11/4885
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMS RAD51 1590/4885CYP11B1 206/4885CYP11B2 130/4885
US-20220089591-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF AADAC, GLS, NAT1 RAD51 4671/4885CYP11B1 246/4885CYP11B2 181/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B RAD51 3353/4885CYP11B1 9/4885CYP11B2 2/4885
US-20110028479-A1 SUBSTITUTED PYRROLOTRIAZINES AND THEIR USE PTGIR, PTGIS, PTGER2 RAD51 3860/4885CYP11B1 112/4885CYP11B2 49/4885
US-10927109-B2 7-substituted 1-aryl-naphthyridine-3-carboxylic acid amides and use thereof AADAC, GLS, NAT1 RAD51 4671/4885CYP11B1 246/4885CYP11B2 181/4885
US-20200339567-A1 SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF GOT2, ABAT, OAT RAD51 3772/4885CYP11B1 32/4885CYP11B2 18/4885
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC RAD51 4553/4885CYP11B1 18/4885CYP11B2 8/4885
US-11472803-B2 7-substituted 1-aryl-naphthyridine-3-carboxylic acid amides and use thereof AADAC, GLS, NAT1 RAD51 4671/4885CYP11B1 246/4885CYP11B2 181/4885
US-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION PTGS1, DPYD, PTGIS RAD51 1715/4885CYP11B1 47/4885CYP11B2 50/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.