SCHEMBL637577

SCHEMBL637577

Cc1nc2sccn2c(=O)c1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39
PKM P14618 4/20 0.39
RXFP1 Q9HBX9 1/20 0.37
SCN5A Q14524 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL23444319 0.88 POLB (0.38) CYP1A2TDP1HPGDNPC1POLB
SCHEMBL636945 0.86 CYP1A2 (0.49) CYP1A2TDP1HPGDNPC1POLB
SCHEMBL636846 0.85 CYP1A2 (0.48) CYP1A2TDP1NPC1POLBRAB9A
SCHEMBL635861 0.83 CYP1A2 (0.51) CYP1A2TDP1NPC1POLBRAB9A
SCHEMBL636107 0.82 CYP1A2 (0.52) CYP1A2TDP1NPC1POLBRAB9A
SCHEMBL638340 0.81 CYP1A2 (0.44) CYP1A2TDP1HPGDNPC1POLB
SCHEMBL636206 0.81 CYP1A2 (0.48) CYP1A2TDP1SMN1; SMN2MAPK1PKM
SCHEMBL636543 0.77 CYP1A2 (0.55) CYP1A2TDP1MAPK1PKM
SCHEMBL636162 0.76 CYP1A2 (0.51) CYP1A2TDP1SMN1; SMN2MAPK1PKM
SCHEMBL23414682 0.76 PTGS1 (0.41) CYP1A2HPGDRAB9AMAPK1SCN5A

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 2521/4885HPGD 540/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885TDP1 2521/4885HPGD 540/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885TDP1 2521/4885HPGD 540/4885

“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.