SCHEMBL7998995

SCHEMBL7998995

N#Cc1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1cn[nH]c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.51
RET P07949 1/20 0.48
SLC6A3 Q01959 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ELAVL1 Q15717 1/20 0.43
ADORA2B P29275 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL16181819 0.85 KDM4E (0.58) ADORA1RETSLC6A3MAPTLMNA
SCHEMBL13285072 0.85 ADORA1 (0.67) ADORA1RETSLC6A3MAPTLMNA
SCHEMBL8006175 0.84 ADORA1 (0.51) ADORA1RETSLC6A3MAPTLMNA
SCHEMBL2282429 0.83 ADORA1 (0.52) ADORA1RETSLC6A3MAPTLMNA
SCHEMBL1177071 0.82 ADORA1 (0.70) ADORA1SLC6A3MAPTKDM4EMEN1
SCHEMBL8003027 0.82 ADORA1 (0.74) ADORA1RETSLC6A3
SCHEMBL13408431 0.82 ADORA1 (0.56) ADORA1RETSLC6A3MAPTLMNA
SCHEMBL9980615 0.81 ADORA1 (0.55) ADORA1SLC6A3MAPTLMNAMAPK1
SCHEMBL10194492 0.80 ADORA1 (0.54) ADORA1RETSLC6A3MAPTLMNA
SCHEMBL3221382 0.80 ADORA1 (0.54) ADORA1RETSLC6A3MAPTLMNA

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 ADORA1 3151/4885RET 2999/4885SLC6A3 1742/4885

“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.