SCHEMBL16623946

SCHEMBL16623946

CCc1c[nH]c(OCCc2cccc(Oc3ccc(C(F)(F)F)c(Cl)c3)c2)nc1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.42
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 4/20 0.35
CETP P11597 3/20 0.34
P2RX3 P56373 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
DAO P14920 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL9108191 0.84 PLA2G7 (0.58) PLA2G7RAF1BRAFGPR84
SCHEMBL16623945 0.81 PLA2G7 (0.36) PLA2G7RAF1BRAFGPR84NR1H2
SCHEMBL9105640 0.80 PLA2G7 (0.47) PLA2G7BRAFGPR84
SCHEMBL9108140 0.80 PLA2G7 (0.51) PLA2G7GPR84
SCHEMBL9103354 0.78 PLA2G7 (0.59) PLA2G7RAF1BRAFGPR84NR1H2
SCHEMBL9892574 0.78 PLA2G7 (0.44) PLA2G7GPR84CETPHCAR2PPARG
SCHEMBL9101748 0.76 PLA2G7 (0.57) PLA2G7RAF1BRAFGPR84
SCHEMBL9108674 0.76 PLA2G7 (0.41) PLA2G7BRAFGPR84P2RX3HCAR2
SCHEMBL9889433 0.76 PLA2G7 (0.59) PLA2G7RAF1BRAFGPR84
SCHEMBL9107934 0.76 PLA2G7 (0.42) PLA2G7GPR84P2RX3HCAR2PPARG

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.