SCHEMBL14656091

SCHEMBL14656091

OCCc1ccc(Oc2ccc(Cl)c(F)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
SLC6A4 P31645 5/20 0.47
KCNH2 Q12809 5/20 0.47
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
FFAR1 O14842 3/20 0.37
GPR84 Q9NQS5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ATF4 P18848 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9889458 0.88 HTR2A (0.42) HTR2ASLC6A4KCNH2ROCK2ROCK1
SCHEMBL9904465 0.87 ROCK2 (0.41) HTR2ASLC6A4ROCK2ROCK1S1PR1
SCHEMBL9104816 0.85 PLA2G7 (0.47) HTR2ASLC6A4KCNH2PPARGPPARA
SCHEMBL29918519 0.85 PLA2G7 (0.47) HTR2ASLC6A4KCNH2PPARGPPARA
SCHEMBL25048113 0.85 FFAR1 (0.45) HTR2ASLC6A4KCNH2PPARGPPARA
SCHEMBL31618026 0.85 FFAR1 (0.45) HTR2ASLC6A4KCNH2PPARGPPARA
SCHEMBL3978582 0.83 MAPT (0.47) KCNH2PPARGPPARAALDH1A1MAPT
SCHEMBL14661736 0.79 HTR2A (0.47) HTR2ASLC6A4KCNH2
SCHEMBL14662701 0.78 LPAR1 (0.41) SLC6A4ROCK2ROCK1FFAR1
SCHEMBL14656314 0.77 HTR2A (0.49) HTR2ASLC6A4KCNH2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827118-B Bicyclic pyrimidin ketone compound GLAXO GROUP LTD. (GB) 2016-03-09 CN 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-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
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
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 (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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B HTR2A 1584/4885SLC6A4 3984/4885KCNH2 4325/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 HTR2A 1815/4885SLC6A4 4617/4885KCNH2 4254/4885

“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.