SCHEMBL1398201

SCHEMBL1398201

COCC(=O)Cc1nc(C)cs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
NPC1 O15118 3/20 0.36
TP53 P04637 1/20 0.36
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL1398316 0.81 ADAMTS5 (0.42) ADAMTS5MEN1ALDH1A1RAB9AL3MBTL1
SCHEMBL13208839 0.79 HSD17B10 (0.45) ADAMTS5MEN1ALDH1A1KDM4ERAB9A
SCHEMBL1398311 0.78 ADAMTS5 (0.40) ADAMTS5ALDH1A1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1398189 0.77 ADAMTS5 (0.43) ADAMTS5ALDH1A1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL874455 0.77 ADAMTS5 (0.54) ADAMTS5MEN1ALDH1A1RAB9AL3MBTL1
SCHEMBL2090920 0.75 RAB9A (0.59) ADAMTS5MEN1ALDH1A1RAB9AL3MBTL1
SCHEMBL696137 0.75 MEN1 (0.51) MEN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL7381763 0.72 ADAMTS5 (0.44) ADAMTS5MEN1ALDH1A1RAB9AL3MBTL1
SCHEMBL11985535 0.72 ADAMTS5 (0.41) ADAMTS5MEN1ALDH1A1KDM4ERAB9A
SCHEMBL6840375 0.72

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404723-B2 3-cyano 5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
US-8404723-B2 3-cyano 5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
US-8404723-B2 3-cyano 5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
EP-2086969-B1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2011-03-02 EP disclosed
EP-2086969-B1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2011-03-02 EP disclosed
US-20100240620-A1 3-Cyano-5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 US disclosed
US-20100240620-A1 3-Cyano-5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 US disclosed
US-20100240620-A1 3-Cyano-5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 US disclosed
EP-2086969-A1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2009-08-12 EP disclosed
WO-2008034534-A1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-27 WO disclosed
WO-2008034534-A1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-27 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 (1 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-20100240620-A1 3-Cyano-5-thiazaheteroaryl-dihydropyridine and the use thereof for the treatment of cardiovascular diseases TNNI3, TNNT2, QDPR ADAMTS5 887/4885MEN1 4126/4885ALDH1A1 506/4885

“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.