SCHEMBL8002709

SCHEMBL8002709

N#Cc1c(N)nc(S)c(C#N)c1-c1cnc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.36
ASIC3 Q9UHC3 1/20 0.36
ADORA2B P29275 1/20 0.35
HSD17B10 Q99714 5/20 0.35
KDM4E B2RXH2 5/20 0.35
HTT P42858 2/20 0.35
RXFP1 Q9HBX9 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 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
SCHEMBL1076157 0.72 KDM4E (0.36) ADORA2BHSD17B10KDM4EHTTRXFP1
SCHEMBL8005607 0.71 KDM4E (0.43) HSD17B10KDM4EHTTRXFP1ADRA2A
SCHEMBL8002305 0.71 HSD17B10 (0.36) ADORA2BHSD17B10KDM4EHTTRXFP1
SCHEMBL382313 0.70 KDM4E (0.65) HSD17B10KDM4EHTTRXFP1ADORA2A
SCHEMBL245321 0.69 ADORA2A (0.60) HSD17B10KDM4EHTTRXFP1ADRA2A
SCHEMBL6072086 0.69 IDO1 (0.43) IDO1HSD17B10KDM4EHTTADRA2A
SCHEMBL13914325 0.68 KDM4E (0.48) HSD17B10KDM4EHTTRXFP1ADRA2A
SCHEMBL13914164 0.68 KDM4E (0.62) HSD17B10KDM4EHTTRXFP1ADRA2A
SCHEMBL6258393 0.68 ADORA1 (0.61) ADORA2BHSD17B10KDM4EHTTRXFP1
SCHEMBL381935 0.68 DYRK1A (0.37) ADORA2BHSD17B10KDM4EHTTRXFP1

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 6 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-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
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 IDO1 3354/4885ASIC3 4397/4885ADORA2B 2760/4885

“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.