SCHEMBL7998326

SCHEMBL7998326

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA1 P30542 14/20 0.43
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RET P07949 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
DCUN1D1 Q96GG9 2/20 0.38

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
SCHEMBL7999522 0.92 ADORA1 (0.53) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL12376494 0.90 NPC1 (0.42) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL2284817 0.86 ADORA1 (0.42) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL12376539 0.85 ADORA1 (0.46) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL7999964 0.85 ADORA1 (0.43) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL7999947 0.84 ADORA1 (0.61) NPC1MAPTRAB9AADORA1SLC6A3
SCHEMBL1075947 0.83 LMNA (0.48) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL12376553 0.81 ADORA1 (0.40) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL1931115 0.79 ADORA1 (0.59) NPC1LMNAMAPTMAPK1RAB9A
SCHEMBL13938791 0.78 ADORA1 (0.45) NPC1LMNAMAPTMAPK1RAB9A

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 NPC1 225/4885LMNA 339/4885MAPT 4142/4885

“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.