SCHEMBL1398301

SCHEMBL1398301

COc1ncccc1C1C(C#N)=C(C)NC(C)=C1c1nc(C)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
NR3C2 P08235 3/20 0.36
NR3C1 P04150 2/20 0.36
PGR P06401 2/20 0.36
AR P10275 2/20 0.36
MET P08581 1/20 0.36
PDE10A Q9Y233 1/20 0.35
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
GRM5 P41594 1/20 0.34
GCK P35557 2/20 0.32

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
SCHEMBL13125689 0.82 PDE10A (0.35) METPDE10AGRM5CYP2E1CYP3A4
SCHEMBL1398176 0.80 KDM4E (0.44) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398315 0.78 ALDH1A1 (0.52) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398197 0.77 ALDH1A1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398177 0.76 NR3C2 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398199 0.76 MET (0.42) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398179 0.74 NR3C2 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398181 0.73 NR3C2 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398183 0.73 NR3C2 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1398309 0.73 NR3C2 (0.52) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1

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 7 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
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
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 KDM4E 1972/4885ALDH1A1 506/4885MAPT 4064/4885

“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.