SCHEMBL9889674

SCHEMBL9889674

CCc1cn(C)c(OCCc2ccc(Oc3ccc(C)nc3)cc2)nc1=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.39
ADORA1 P30542 1/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL9889675 0.90 MAOA (0.33) P2RX3
SCHEMBL9892555 0.86 PLAAT3 (0.41) EGLN1
SCHEMBL9107230 0.85 PLA2G7 (0.34) P2RX3
SCHEMBL9107505 0.82 GPR84 (0.39)
SCHEMBL9889682 0.82 CYP3A4 (0.34) P2RX3
SCHEMBL15275211 0.78 PLA2G7 (0.39) P2RX3
SCHEMBL9109328 0.77 PLA2G7 (0.35) P2RX3
SCHEMBL9889577 0.73 PLA2G7 (0.49)
SCHEMBL9889578 0.73 PLA2G7 (0.37)
SCHEMBL9889672 0.73 PLA2G7 (0.37) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US 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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 P2RX3 1316/4885ADORA1 1496/4885EGLN1 3403/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B P2RX3 1197/4885ADORA1 959/4885EGLN1 2581/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B P2RX3 1149/4885ADORA1 974/4885EGLN1 2563/4885

“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.