Sugi Predict

Sugi Predict / Compounds / SCHEMBL4399962

SCHEMBL4399962

SCHEMBL4399962

COc1cccc(/C=C/c2nc3sc4ccccc4n3c(=O)c2-c2ccc(C(F)(F)F)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE11A Q9HCR9 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL636608 0.88 NFE2L2 (0.38) TNKSTNKS2PARP2NFE2L2KDM4E
SCHEMBL4402158 0.87 DUSP3 (0.39) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL636421 0.86 NFE2L2 (0.37) TNKSTNKS2PARP2NFE2L2KDM4E
SCHEMBL635608 0.86 NFE2L2 (0.37) TNKSTNKS2PARP2NFE2L2KDM4E
SCHEMBL16966557 0.85 NFE2L2 (0.36) TNKSTNKS2PARP2NFE2L2KDM4E
SCHEMBL636251 0.79 HCRTR1 (0.35) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL4402314 0.78 HCRTR1 (0.37) KDM4EALDH1A1MAPTHPGDCYP1A2
SCHEMBL636850 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL4402162 0.77 CSNK1D (0.34) KDM4EALDH1A1MAPTRAB9ATP53
SCHEMBL4401375 0.77 HCRTR1 (0.40) KDM4EPOLBHTTCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 — — US 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 TNKS 738/4885TNKS2 1137/4885PARP2 3489/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 TNKS 738/4885TNKS2 1137/4885PARP2 3489/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 TNKS 738/4885TNKS2 1137/4885PARP2 3489/4885

“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.