SCHEMBL4514944

SCHEMBL4514944

Cn1cnc2c(=O)n(-c3ccc(F)c(F)c3)c(C3Cc4ccccc4C3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.35
DRD5 P21918 11/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM4 Q14833 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4506393 0.89 PIK3CD (0.38) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4520932 0.88 TRPV4 (0.34) TRPA1
SCHEMBL4514027 0.86 DRD1 (0.46) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4527097 0.82 PIK3CD (0.37) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4531450 0.80 DRD1 (0.45) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL4791118 0.78 TRPV4 (0.35) PIK3CDPIK3CAPIK3CGPDE4BPDE4D
SCHEMBL4791071 0.77 DRD1 (0.37) DRD1DRD5PIK3CDPIK3CAPIK3CG
SCHEMBL1993850 0.77 POLB (0.36) PIK3CAPDE4BPDE4DTRPA1ALDH1A1
SCHEMBL4513362 0.73 CNR1 (0.42) DRD1DRD5PDE4BPDE4DALDH1A1
SCHEMBL4520024 0.72 MAPK14 (0.35) ALDH1A1SMN1; SMN2

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.