SCHEMBL12376483

SCHEMBL12376483

[C-]#[N+]c1c(N)nc(S)c(C#N)c1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ADORA1 P30542 7/20 0.46
ADORA2A P29274 5/20 0.46
PIM1 P11309 1/20 0.46
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 6/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 3/20 0.45
ADORA2B P29275 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
HPGD P15428 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 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
SCHEMBL1029261 0.85 KDM4E (0.60) KDM4EADORA1ADORA2APIM1ALDH1A1
SCHEMBL12376482 0.80
SCHEMBL12536073 0.79 ADORA2A (0.46) KDM4EADORA1ADORA2AALDH1A1HSD17B10
SCHEMBL12376505 0.75
SCHEMBL12910802 0.74 KDM4E (0.51) KDM4EADORA1ADORA2AALDH1A1MEN1
SCHEMBL12376462 0.72 ADORA1 (0.30) ADORA1
SCHEMBL12376586 0.70 ADORA1 (0.67) KDM4EADORA1ADORA2AALDH1A1MEN1
SCHEMBL12376547 0.70 ADORA1 (0.67) KDM4EADORA1ADORA2AALDH1A1MEN1
SCHEMBL1322425 0.68 KDM4E (0.73) KDM4EADORA2AALDH1A1MEN1KMT2A
SCHEMBL13941644 0.68 KDM4E (0.70) KDM4EADORA2AALDH1A1MEN1KMT2A

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 3532/4885ADORA1 3151/4885ADORA2A 2400/4885

“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.