SCHEMBL8005607

SCHEMBL8005607

Cc1cc(-c2c(C#N)c(N)nc(S)c2C#N)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.43
ALDH1A1 P00352 8/20 0.38
HPGD P15428 8/20 0.38
RXFP1 Q9HBX9 3/20 0.38
PPARG P37231 1/20 0.38
STAT3 P40763 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HSD17B10 Q99714 5/20 0.37
HTT P42858 2/20 0.37
ADRA2A P08913 1/20 0.37
ADORA2A P29274 1/20 0.37
GAA P10253 1/20 0.37
DYRK1A Q13627 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 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
SCHEMBL12376487 0.85 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8002709 0.71 IDO1 (0.36) KDM4EALDH1A1HPGDRXFP1HSD17B10
SCHEMBL13914223 0.71 KDM4E (0.58) KDM4EALDH1A1HPGDRXFP1PPARG
SCHEMBL381935 0.69 DYRK1A (0.37) KDM4EALDH1A1HPGDRXFP1NPSR1
SCHEMBL6615431 0.68 KDM4E (0.47) KDM4EALDH1A1HPGDRXFP1PPARG
SCHEMBL13914305 0.68 ADORA1 (0.44) KDM4EALDH1A1HPGDRXFP1NPSR1
SCHEMBL13914311 0.68 KDM4E (0.49) KDM4EALDH1A1HPGDRXFP1PPARG
SCHEMBL245321 0.67 ADORA2A (0.60) KDM4EALDH1A1HPGDRXFP1NPSR1
SCHEMBL13914325 0.66 KDM4E (0.48) KDM4EALDH1A1HPGDRXFP1NPSR1
SCHEMBL13914164 0.66 KDM4E (0.62) KDM4EALDH1A1HPGDRXFP1PPARG

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 4 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
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 KDM4E 3532/4885ALDH1A1 2170/4885HPGD 700/4885

“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.