SCHEMBL14656157

SCHEMBL14656157

OCc1cc(F)c(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 10/20 0.44
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
KIF11 P52732 1/20 0.42
AR P10275 6/20 0.41
PTPN7 P35236 2/20 0.37
DUSP3 P51452 2/20 0.37

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
SCHEMBL14656137 0.88 KIF11 (0.53) PLA2G7KIF11AR
SCHEMBL24385867 0.87 PLA2G7 (0.43) PLA2G7KIF11AR
SCHEMBL17884205 0.87 PLA2G7 (0.53) PLA2G7
SCHEMBL24385774 0.85 HTR2A (0.46) PLA2G7HTR2ASLC6A4KCNH2AR
SCHEMBL14656344 0.84 KIF11 (0.51) HTR2ASLC6A4KCNH2KIF11AR
SCHEMBL24030755 0.84 PLA2G7 (0.43) PLA2G7KIF11
SCHEMBL30025685 0.84 PLA2G7 (0.43) PLA2G7KIF11
SCHEMBL15814682 0.84 AR (0.61) AR
SCHEMBL875984 0.82 AR (0.53) PLA2G7HTR2ASLC6A4KCNH2KIF11
SCHEMBL14656203 0.82 SOS1 (0.40) HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239135-B1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-05-04 EP disclosed
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
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-05-07 US disclosed
EP-3239135-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-11-01 EP disclosed
EP-3239135-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-11-01 EP disclosed
WO-2016180247-A1 BICYCLIC COMPOUND USED AS AN LP-PLA2 INHIBITOR, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 中国科学院上海药物研究所 2016-11-17 WO disclosed
WO-2016101927-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF 中国科学院上海药物研究所 2016-06-30 WO disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
EP-2736908-A1 BICYCLIC PYRIMIDONE COMPOUNDS Glaxo Group Limited (GB) 2014-06-04 EP disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 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 (5 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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B PLA2G7 1/4885HTR2A 1584/4885SLC6A4 3984/4885
US-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A PLA2G7 9/4885HTR2A 668/4885SLC6A4 2636/4885
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A PLA2G7 9/4885HTR2A 668/4885SLC6A4 2636/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 PLA2G7 2/4885HTR2A 1815/4885SLC6A4 4617/4885
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof PLA2G12B, PLA2G1B, PLA2G4A PLA2G7 9/4885HTR2A 668/4885SLC6A4 2636/4885

“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.