SCHEMBL4510095

SCHEMBL4510095

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C(=O)c3cccc(F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.39
MAT2A P31153 2/20 0.38
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
EIF4EBP1 Q13541 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4521275 0.79 ALDH1A3 (0.44) CDK1MAT2AALDH1A2ALDH1A3ALDH1A1
SCHEMBL4525568 0.79 MAT2A (0.38) CDK1MAT2AALDH1A2ALDH1A3ALDH1A1
SCHEMBL4519920 0.78 MAT2A (0.38) CDK1MAT2AALDH1A2ALDH1A3NPC1
SCHEMBL5438227 0.77 PPARG (0.42) CDK1MAT2AALDH1A2ALDH1A3ALDH1A1
SCHEMBL1993358 0.75 CNR1 (0.43) CDK1ALDH1A1TSHRNPC1RAB9A
SCHEMBL4522510 0.74 GSR (0.40) CDK1MAT2AALDH1A2ALDH1A3TSHR
SCHEMBL4520072 0.74 MAT2A (0.38) MAT2AALDH1A2ALDH1A3TSHRNPC1
SCHEMBL4515108 0.74 CNR1 (0.38) CDK1ALDH1A1TSHRNPC1RAB9A
SCHEMBL4521476 0.74 GSR (0.39) CDK1MAT2AALDH1A2ALDH1A3TSHR
SCHEMBL11920297 0.74 BRD4 (0.40) MAT2APKMCNR1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 CDK1 1523/4885MAT2A 3846/4885ALDH1A2 1308/4885

“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.