SCHEMBL14656288

SCHEMBL14656288

O=Cc1cc(F)c(Oc2ccc(F)c(Cl)c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.48
HTR2A P28223 3/20 0.40
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 3/20 0.40
EGFR P00533 1/20 0.40
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
KDR P35968 1/20 0.36
EPAS1 Q99814 3/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHEK2 O96017 1/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL21855911 0.88 TDP1 (0.43) SOS1EGFRPOLBCASP6ALDH1A1
SCHEMBL14656089 0.87 ALDH1A1 (0.39) SOS1HTR2ASLC6A4KCNH2POLB
SCHEMBL15904561 0.87 HSD17B10 (0.45) SOS1POLBCASP6MAPTHTT
SCHEMBL14656252 0.85 SOS1 (0.44) SOS1HTR2ASLC6A4POLBCASP6
SCHEMBL24030754 0.84 KIF11 (0.42) SOS1POLBCASP6
SCHEMBL29851513 0.84 KIF11 (0.42) SOS1POLBCASP6
SCHEMBL14656250 0.83 SOS1 (0.58) SOS1HTR2ASLC6A4KCNH2EGFR
SCHEMBL9889452 0.83 MCL1 (0.40) HTR2ASLC6A4KCNH2POLBCASP6
SCHEMBL14656113 0.83 CYP1A2 (0.43) HTR2ASLC6A4KCNH2POLBEPAS1
SCHEMBL23193655 0.82 SCN9A (0.47) EPAS1TTR

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 26 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
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
EP-2948456-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GlaxoSmithKline Intellectual Property Development Limited (GB) 2015-12-02 EP 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
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
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-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
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 (3 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 SOS1 4026/4885HTR2A 1584/4885SLC6A4 3984/4885
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 SOS1 3950/4885HTR2A 910/4885SLC6A4 3696/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 SOS1 4415/4885HTR2A 1815/4885SLC6A4 4617/4885

“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.