SCHEMBL637539

SCHEMBL637539

Cc1nc2sccn2c(=O)c1I

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALOX12 P18054 1/20 0.57
PKM P14618 6/20 0.49
MAPK1 P28482 1/20 0.48
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10994685 0.82 CYP1A2 (0.70) CYP1A2TDP1ALOX12PKMMAPK1
SCHEMBL10998420 0.79 TDP1 (1.00) CYP1A2TDP1ALOX12PKMMAPK1
SCHEMBL21760698 0.78 ALOX12 (0.59) CYP1A2TDP1ALOX12PKMMAPK1
SCHEMBL10996296 0.76 CYP1A2 (0.57) CYP1A2TDP1ALOX12PKMMAPK1
Hydrochloric Acid SCHEMBL7891939 0.73 CYP1A2 (0.61) CYP1A2TDP1ALOX12PKMMAPK1
SCHEMBL9910959 0.73 TDP1 (0.57) CYP1A2TDP1ALOX12PKMMAPK1
SCHEMBL637327 0.71 TDP1 (0.55) CYP1A2TDP1ALOX12PKMMAPK1
SCHEMBL21894538 0.71 ALOX12 (0.59) CYP1A2TDP1ALOX12PKMMAPK1
SCHEMBL269695 0.70 MAPK1 (0.65) CYP1A2TDP1ALOX12MAPK1
SCHEMBL6209906 0.70 ALOX12 (0.54) CYP1A2TDP1ALOX12PKMMAPK1

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 2521/4885ALOX12 1697/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885TDP1 2521/4885ALOX12 1697/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885TDP1 2521/4885ALOX12 1697/4885

“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.