SCHEMBL4523638

SCHEMBL4523638

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3F)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.41
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK14 Q16539 9/20 0.39
MAT2A P31153 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
PTGER1 P34995 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL4521828 0.94 MAT2A (0.40) GSRMAPK1NPSR1MAPK14MAT2A
SCHEMBL4520494 0.94 MAOB (0.38) GSRMAPK1NPSR1MAPK14MAT2A
SCHEMBL4519384 0.94 HKDC1 (0.39) MAPK1NPSR1MAPK14ALDH1A2ALDH1A3
SCHEMBL4525444 0.93 GSR (0.41) GSRMAPK1NPSR1MAPK14MAT2A
SCHEMBL4521884 0.92 MAPK1 (0.45) GSRMAPK1NPSR1MAPK14MAT2A
SCHEMBL4522019 0.91 MAPK14 (0.36) MAPK1NPSR1MAPK14BRD9SMN1; SMN2
SCHEMBL4518340 0.90 MAPK1 (0.40) MAPK1NPSR1MAPK14BRD9PTGER1
SCHEMBL4521476 0.89 GSR (0.39) GSRNPSR1MAPK14MAT2AALDH1A2
SCHEMBL4520372 0.89 GSR (0.37) GSRNPSR1MAPK14MAT2AALDH1A2
SCHEMBL4518790 0.88 MAPK1 (0.39) MAPK1NPSR1MAPK14BRD9PTGER1

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 GSR 1941/4885MAPK1 1197/4885NPSR1 102/4885

“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.