SCHEMBL12376524

SCHEMBL12376524

[C-]#[N+]c1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1cncs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ADORA1 P30542 15/20 0.45
SLC6A3 Q01959 1/20 0.42
RET P07949 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL12376499 0.92 NPC1 (0.42) LMNAMAPTNPSR1MAPK1NPC1
SCHEMBL2282429 0.92 ADORA1 (0.52) LMNAMAPTNPSR1MAPK1NPC1
SCHEMBL1075947 0.86 LMNA (0.48) LMNAMAPTNPSR1MAPK1NPC1
SCHEMBL12376520 0.85 ADORA1 (0.63) ADORA1SLC6A3RET
SCHEMBL12376551 0.85 NPC1 (0.39) LMNAMAPTNPSR1MAPK1NPC1
SCHEMBL12376517 0.85 ADORA1 (0.47) LMNAMAPTNPSR1MAPK1NPC1
SCHEMBL12376539 0.85 ADORA1 (0.46) LMNAMAPTNPSR1MAPK1NPC1
SCHEMBL13429013 0.81 ADORA1 (0.48) LMNAMAPTNPSR1MAPK1NPC1
SCHEMBL12535157 0.81 ADORA1 (0.59) MAPTNPSR1ADORA1SLC6A3ALDH1A1
SCHEMBL13390430 0.81 ADORA1 (0.48) LMNAMAPTNPSR1MAPK1NPC1

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 LMNA 339/4885MAPT 4142/4885NPSR1 3537/4885

“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.