SCHEMBL21264409

SCHEMBL21264409

COc1cc(OCc2ccc(Oc3ccc(F)c(C)c3)c(C#N)c2)nc(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.45
PLA2G7 Q13093 2/20 0.42
ESRRA P11474 1/20 0.35
AR P10275 1/20 0.35
CSF1R P07333 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
SCHEMBL21264375 0.93 PLA2G7 (0.42) SLC22A12PLA2G7ESRRAARCSF1R
SCHEMBL21264376 0.91 SLC22A12 (0.40) SLC22A12PLA2G7ESRRAARCSF1R
SCHEMBL17884243 0.89 PLA2G7 (0.50) SLC22A12PLA2G7ESRRAAR
SCHEMBL29642290 0.89 PLA2G7 (0.50) SLC22A12PLA2G7ESRRAAR
SCHEMBL29642235 0.86 PLA2G7 (0.52) SLC22A12PLA2G7ESRRAAR
SCHEMBL17884237 0.86 PLA2G7 (0.52) SLC22A12PLA2G7ESRRAAR
SCHEMBL29642185 0.84 AR (0.50) SLC22A12PLA2G7ESRRAAR
SCHEMBL17884213 0.84 AR (0.50) SLC22A12PLA2G7ESRRAAR
SCHEMBL17884217 0.83 PLA2G7 (0.60) PLA2G7AR
SCHEMBL20975880 0.82 PLA2G7 (0.51) SLC22A12PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-09-29 US disclosed
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-08-15 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 (2 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-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A SLC22A12 3009/4885PLA2G7 9/4885ESRRA 4239/4885
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof PLA2G12B, PLA2G1B, PLA2G4A SLC22A12 3009/4885PLA2G7 9/4885ESRRA 4239/4885

“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.