SCHEMBL4514027

SCHEMBL4514027

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C3Cc4ccccc4C3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.46
DRD5 P21918 11/20 0.46
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
CNR1 P21554 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL4531450 0.93 DRD1 (0.45) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4506393 0.89 PIK3CD (0.38) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4513362 0.86 CNR1 (0.42) DRD1DRD5USP2ALDH1A1LMNA
SCHEMBL4514944 0.86 DRD1 (0.35) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4791071 0.85 DRD1 (0.37) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4518485 0.84 DRD1 (0.57) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4527097 0.83 PIK3CD (0.37) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4412562 0.82 DRD1 (0.46) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4530720 0.80 DRD1 (0.41) DRD1DRD5USP2CYP1A2CASP1
SCHEMBL3179577 0.80 DRD1 (0.44) DRD1DRD5PIK3CDPIK3CAPIK3CG

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 DRD1 333/4885DRD5 695/4885PIK3CD 2048/4885

“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.