SCHEMBL1398176

SCHEMBL1398176

CC1=C(C#N)C(c2ccccc2Br)C(c2nc(C)cs2)=C(C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CDK1 P06493 1/20 0.42
MARK3 P27448 1/20 0.42
AXL P30530 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
SLK Q9H2G2 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MET P08581 2/20 0.39
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1398183 0.85 NR3C2 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2MET
SCHEMBL1398199 0.82 MET (0.42) KDM4EALDH1A1MAPTSMN1; SMN2CLK2
SCHEMBL1398301 0.80 KDM4E (0.44) KDM4EALDH1A1MAPTSMN1; SMN2MET
SCHEMBL13125677 0.80 PDE10A (0.33) KDM4EALDH1A1GSK3BKMT2AHSD17B10
SCHEMBL1398179 0.78 NR3C2 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2GSK3B
SCHEMBL1398177 0.78 NR3C2 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2MET
SCHEMBL1398181 0.78 NR3C2 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2MET
SCHEMBL1398309 0.77 NR3C2 (0.52) KDM4EALDH1A1MAPTSMN1; SMN2GSK3B
SCHEMBL1398315 0.76 ALDH1A1 (0.52) KDM4EALDH1A1MAPTSMN1; SMN2MET
SCHEMBL1398172 0.76 NR3C2 (0.57) KDM4EALDH1A1MAPTSMN1; SMN2MET

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 9 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
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 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.