SCHEMBL636328

SCHEMBL636328

Cc1nc2n(C)c3ccccc3n2c(=O)c1I

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.62
ADORA2B P29275 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 1/20 0.44
ADORA3 P0DMS8 2/20 0.40
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 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
SCHEMBL13317080 0.84 ADORA1 (0.66) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL13317093 0.78 ADORA1 (0.57) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL3557732 0.77 ADORA1 (0.56) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL19233749 0.73 ADORA1 (0.51) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL11825494 0.73 ADORA1 (0.55) ADORA1ADORA2BKDM4EALDH1A1GAA
SCHEMBL635868 0.71 ADORA1 (0.53) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL636812 0.70 ADORA1 (0.48) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL20124327 0.70 ADORA1 (0.47) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL15623910 0.70 ADORA1 (0.47) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL20124331 0.69 ADORA1 (0.46) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1

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 ADORA1 433/4885ADORA2B 360/4885KDM4E 3735/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ADORA1 433/4885ADORA2B 360/4885KDM4E 3735/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ADORA1 433/4885ADORA2B 360/4885KDM4E 3735/4885

“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.