SCHEMBL637327

SCHEMBL637327

Cc1nc2sccn2c(=O)c1-c1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
CYP1A2 P05177 1/20 0.55
PKM P14618 7/20 0.45
ALOX12 P18054 1/20 0.44
TP53 P04637 4/20 0.41
ALOX15 P16050 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
DGKA P23743 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL976669 0.81 PIK3CD (0.47) TDP1CYP1A2PKMMAPTALDH1A1
SCHEMBL636543 0.78 CYP1A2 (0.55) TDP1CYP1A2PKMALOX12TP53
SCHEMBL635861 0.77 CYP1A2 (0.51) TDP1CYP1A2PKMALOX12TP53
SCHEMBL636501 0.77 CYP1A2 (0.48) TDP1CYP1A2PKMALDH1A1LMNA
SCHEMBL636107 0.76 CYP1A2 (0.52) TDP1CYP1A2PKMALOX12MAPT
SCHEMBL15732474 0.75 PIK3CD (0.42) TDP1CYP1A2PKMMAPTALDH1A1
SCHEMBL636162 0.75 CYP1A2 (0.51) TDP1CYP1A2PKMALOX12TP53
SCHEMBL636206 0.75 CYP1A2 (0.48) TDP1CYP1A2PKMALOX12TP53
SCHEMBL636846 0.75 CYP1A2 (0.48) TDP1CYP1A2PKMALOX12NPC1
SCHEMBL10994685 0.74 CYP1A2 (0.70) TDP1CYP1A2PKMALOX12TP53

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 TDP1 2521/4885CYP1A2 2916/4885PKM 894/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 TDP1 2521/4885CYP1A2 2916/4885PKM 894/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 TDP1 2521/4885CYP1A2 2916/4885PKM 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.