SCHEMBL12376542

SCHEMBL12376542

[C-]#[N+]c1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1cc(C)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.45
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RET P07949 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
ADORA2B P29275 1/20 0.36
ELAVL1 Q15717 1/20 0.35

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
SCHEMBL12376503 0.92 ADORA1 (0.41) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL7998996 0.91 ADORA1 (0.51) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL12376570 0.86 ADORA1 (0.38) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL8002661 0.85 ADORA1 (0.44) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL12376530 0.85 ADORA1 (0.59) ADORA1SLC6A3
SCHEMBL12376566 0.84 ADORA1 (0.37) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL13429013 0.81 ADORA1 (0.48) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL12376524 0.80 LMNA (0.45) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL12376517 0.80 ADORA1 (0.47) ADORA1LMNAMAPTMAPK1NPC1
SCHEMBL12376539 0.80 ADORA1 (0.46) ADORA1LMNAMAPTMAPK1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3151/4885LMNA 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.