SCHEMBL636162

SCHEMBL636162

Cc1nc2sccn2c(=O)c1-c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 6/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.41
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
NR1I3 Q14994 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC11A2 P49281 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL636543 0.83 CYP1A2 (0.55) CYP1A2TDP1PKMMAPTALOX12
SCHEMBL9727030 0.81 ALOX12 (0.45) CYP1A2TDP1MAPTALOX12GAA
SCHEMBL636107 0.81 CYP1A2 (0.52) CYP1A2TDP1PKMMAPTALOX12
SCHEMBL636945 0.80 CYP1A2 (0.49) CYP1A2TDP1PKMMAPTSMN1; SMN2
SCHEMBL635861 0.80 CYP1A2 (0.51) CYP1A2TDP1PKMMAPTALOX12
SCHEMBL638340 0.78 CYP1A2 (0.44) CYP1A2TDP1PKMSMN1; SMN2MAPK1
SCHEMBL636206 0.77 CYP1A2 (0.48) CYP1A2TDP1PKMALOX12GAA
SCHEMBL636846 0.77 CYP1A2 (0.48) CYP1A2TDP1PKMALOX12MAPK1
SCHEMBL637577 0.76 CYP1A2 (0.45) CYP1A2TDP1PKMSMN1; SMN2MAPK1
SCHEMBL637327 0.75 TDP1 (0.55) CYP1A2TDP1PKMMAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP claimed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US claimed
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US disclosed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US disclosed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 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 (3 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-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885TDP1 2521/4885PKM 894/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885TDP1 2521/4885PKM 894/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885TDP1 2521/4885PKM 894/4885

“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.