SCHEMBL14656113

SCHEMBL14656113

O=Cc1cc(F)c(Oc2cccc(Cl)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
AR P10275 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.37
TERT O14746 1/20 0.37
MAOB P27338 3/20 0.36
RHEB Q15382 2/20 0.36
MAOA P21397 2/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 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
SCHEMBL8544716 0.89 MAOA (0.41) MAPTKMT2ALMNAGAASMN1; SMN2
SCHEMBL14656324 0.84 MAOA (0.47) MAPTMAOBMAOAFFAR1POLB
SCHEMBL14656288 0.83 SOS1 (0.48) MAPTNPC1RAB9ASMN1; SMN2EPAS1
SCHEMBL15904561 0.82 HSD17B10 (0.45) CYP1A2CYP2C9CYP2C19ARMAPT
SCHEMBL14656377 0.82 MAPT (0.46) CYP1A2CYP2C9CYP2C19MAPTKMT2A
SCHEMBL15904100 0.81 ERN1 (0.42) CYP1A2CYP2C9CYP2C19ARLMNA
SCHEMBL14656252 0.80 SOS1 (0.44) KMT2ALMNAHPGDSMN1; SMN2MAOB
SCHEMBL14662109 0.80 ERN1 (0.49) CYP1A2CYP2C9CYP2C19ARMAPT
SCHEMBL14656089 0.79 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19MAPTKMT2A
SCHEMBL23193938 0.79 POLB (0.39) MAPTMAOBMAOAPOLBHSP90AA1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827116-B As LP-PLA2the 2,3-glyoxalidine of inhibitor also [1,2-c] pyrimidine-5 (1H)-one compound 葛兰素集团有限公司 2016-08-31 CN disclosed
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-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
CN-104968665-A Bicyclic pyrimidone compounds as inhibitors of LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENTLTD 2015-10-07 CN disclosed
US-8975400-B2 2,3-dihydroimidazo[1, 2-c] pyrimidin-5(1 H)-one compounds use as LP-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2015-03-10 US disclosed
EP-2739627-A1 2,3-DIHYDROIMIDAZO[1,2-C]PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA² INHIBITORS Glaxo Group Limited (GB) 2014-06-11 EP disclosed
EP-2736908-A1 BICYCLIC PYRIMIDONE COMPOUNDS Glaxo Group Limited (GB) 2014-06-04 EP disclosed
CN-103827118-A Bicyclic pyrimidone compounds GLAXO GROUP LTD 2014-05-28 CN disclosed
CN-103827116-A 2, 3-dihydroimidazolo [1,2-c] pyrimidin-5 (1H)-one compound useful as LP-PLA2inhibitor GLAXO GROUP LTD 2014-05-28 CN 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
WO-2013013503-A1 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS 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-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 CYP1A2 2260/4885CYP2C9 3296/4885CYP2C19 1739/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 CYP1A2 2977/4885CYP2C9 4223/4885CYP2C19 3767/4885

“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.