SCHEMBL7999522

SCHEMBL7999522

N#Cc1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1nccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.53
SLC6A3 Q01959 1/20 0.51
RET P07949 1/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 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
SCHEMBL7998326 0.92 NPC1 (0.46) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL12376539 0.91 ADORA1 (0.46) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL12376494 0.85 NPC1 (0.42) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL2284817 0.85 ADORA1 (0.42) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL8006123 0.84 ADORA1 (0.73) ADORA1SLC6A3RET
SCHEMBL7999964 0.84 ADORA1 (0.43) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL2282429 0.84 ADORA1 (0.52) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL16181819 0.82 KDM4E (0.58) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL13285072 0.82 ADORA1 (0.67) ADORA1SLC6A3RETLMNAMAPT
SCHEMBL1075142 0.82 ADORA1 (0.56) ADORA1SLC6A3RETLMNAMAPT

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 3151/4885SLC6A3 1742/4885RET 2999/4885

“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.