SCHEMBL12376487

SCHEMBL12376487

[C-]#[N+]c1c(N)nc(S)c(C#N)c1-c1cc(C)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8005607 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL12536073 0.72 ADORA2A (0.46) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12376505 0.71
SCHEMBL12376542 0.69 ADORA1 (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL12376482 0.68
SCHEMBL12376462 0.68 ADORA1 (0.30)
SCHEMBL12376483 0.68 KDM4E (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL12910802 0.68 KDM4E (0.51) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL12376472 0.67 NPSR1 (0.32) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL12534753 0.65 ADORA1 (0.44) KDM4EALDH1A1HPGDHSD17B10

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 KDM4E 3532/4885ALDH1A1 2170/4885HPGD 700/4885

“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.