SCHEMBL1028588

SCHEMBL1028588

N#Cc1cncc(C#N)c1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HSD17B10 Q99714 4/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CSNK2A1 P68400 2/20 0.43
MAOA P21397 3/20 0.42
LMNA P02545 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3089783 0.81 ADORA2A (0.47) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL16295285 0.77 CYP2E1 (0.47) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL2950229 0.74 CYP2E1 (0.47) MAPTHSD17B10KDM4EALDH1A1HPGD
Cyanide SCHEMBL11883444 0.72 MAOA (0.43) MAPTHSD17B10POLBALOX15KDM4E
SCHEMBL29805004 0.71 MAOA (0.45) MAPTHSD17B10POLBALOX15KDM4E
SCHEMBL2981795 0.70 CYP2A6 (0.51) HSD17B10KDM4EALDH1A1HPGDCYP3A4
SCHEMBL27463889 0.70 KDM4E (0.47) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL7135870 0.70 MAPT (0.52) MAPTHSD17B10POLBALOX15KDM4E
SCHEMBL8799027 0.69 KDM4E (0.47) MAPTHSD17B10POLBALOX15KDM4E
SCHEMBL29669280 0.69 KDM4E (0.47) MAPTHSD17B10POLBALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274299-B1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2016-06-15 EP disclosed
US-8426602-B2 Heteroaryl-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-23 US disclosed
US-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 US disclosed
EP-2274299-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2011-01-19 EP disclosed
WO-2009112155-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2009-09-17 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-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, SDHA MAPT 4142/4885HSD17B10 1610/4885POLB 1933/4885

“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.