SCHEMBL16623945

SCHEMBL16623945

CCc1cn(C)c(OCCc2cccc(Oc3ccc(C(F)(F)F)c(Cl)c3)c2)nc1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 8/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
CETP P11597 3/20 0.35
NPBWR1 P48145 1/20 0.34
GRM2 Q14416 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL16623680 0.87 GPR84 (0.36) GPR84NPBWR1GRM2DHFR
SCHEMBL9104746 0.85 PLA2G7 (0.51) PLA2G7RAF1BRAFGPR84
SCHEMBL16623946 0.81 PLA2G7 (0.42) PLA2G7RAF1BRAFNR1H2NR1H3
SCHEMBL9107928 0.80 PLA2G7 (0.49) PLA2G7
SCHEMBL9108664 0.80 PLA2G7 (0.53) PLA2G7GPR84
SCHEMBL9103226 0.78 PLA2G7 (0.49) PLA2G7RAF1BRAFGPR84
SCHEMBL9107505 0.77 GPR84 (0.39) PLA2G7GPR84
SCHEMBL9109328 0.77 PLA2G7 (0.35) PLA2G7BRAFGPR84NPBWR1
SCHEMBL9103260 0.76 PLA2G7 (0.51) PLA2G7RAF1BRAFGPR84
SCHEMBL9101676 0.75 PLA2G7 (0.63) PLA2G7RAF1BRAFGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLA2G7 4/4885RAF1 2923/4885BRAF 3209/4885

“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.