SCHEMBL2385471

SCHEMBL2385471

COc1cccc(C=Cc2nc3sccn3c(=O)c2-c2ccc(C(F)(F)F)cc2)c1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.38
MAOB P27338 1/20 0.35
ACMSD Q8TDX5 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
PKM P14618 1/20 0.33
ABL1 P00519 1/20 0.32
RAF1 P04049 1/20 0.32
FGFR1 P11362 1/20 0.32
BRAF P15056 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
NTRK2 Q16620 1/20 0.32
HIPK1 Q86Z02 1/20 0.32
MAP3K20 Q9NYL2 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL2385466 1.00 NFE2L2 (0.38) NFE2L2MAOBACMSDHCRTR1HCRTR2
SCHEMBL637405 0.97 NFE2L2 (0.37) NFE2L2MAOBACMSDHCRTR1HCRTR2
SCHEMBL4402151 0.93 MAOB (0.38) NFE2L2MAOBACMSDPKMABL1
SCHEMBL634664 0.93 MAOB (0.38) NFE2L2MAOBACMSDPKMABL1
SCHEMBL16966567 0.93 EDNRA (0.38) ACMSDPKMMAPTTP53EDNRA
SCHEMBL635663 0.92 HCRTR1 (0.36) MAOBACMSDHCRTR1HCRTR2PKM
SCHEMBL4401364 0.92 HCRTR1 (0.36) MAOBACMSDHCRTR1HCRTR2PKM
SCHEMBL636245 0.91 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2372230 0.91 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL6032767 0.91 HCRTR1 (0.37) ACMSDHCRTR1HCRTR2PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP claimed
US-20130203778-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-08 US disclosed
EP-2549998-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE Glenmark Pharmaceuticals S.A. (CH) 2013-01-30 EP disclosed
WO-2011117711-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-29 WO 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 (1 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-20130203778-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GPR17, P2RY2, ABCG2 NFE2L2 3778/4885MAOB 2057/4885ACMSD 4655/4885

“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.