SCHEMBL14656344

SCHEMBL14656344

OCc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
LTA4H P09960 1/20 0.49
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
AR P10275 5/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
PTPN7 P35236 4/20 0.41
DUSP3 P51452 4/20 0.41
CDK8 P49336 2/20 0.41
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 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
SCHEMBL15813735 0.87 KIF11 (0.64) KIF11LTA4HNR1H2NR1H3AR
SCHEMBL875984 0.85 AR (0.53) KIF11ARHTR2ASLC6A4KCNH2
SCHEMBL14656157 0.84 PLA2G7 (0.44) KIF11ARHTR2ASLC6A4KCNH2
SCHEMBL4369986 0.84 ST14 (0.55) ARHTR2ASLC6A4KCNH2CDK8
SCHEMBL875664 0.83 IDO1 (0.50) KIF11LTA4HNR1H2NR1H3AR
SCHEMBL29918384 0.83 IDO1 (0.50) KIF11LTA4HNR1H2NR1H3AR
SCHEMBL29918246 0.82 KIF11 (0.40) KIF11NR1H2NR1H3ARHTR2A
SCHEMBL17459901 0.82 KIF11 (0.40) KIF11NR1H2NR1H3ARHTR2A
SCHEMBL5125208 0.81 LTA4H (0.57) KIF11LTA4HHTR2ASLC6A4KCNH2
SCHEMBL29875866 0.81 KIF11 (0.58) KIF11ARPTPN7DUSP3USP28

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2014114249-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 WO disclosed
WO-2014114249-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 WO disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-20140179715-A1 2,3-DIHYDROIMIDAZO[1 ,2-c] PYRIMIDIN-5(1 H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS 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 (4 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-20140179715-A1 2,3-DIHYDROIMIDAZO[1 ,2-c] PYRIMIDIN-5(1 H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS PLA2G4A, PLA2G4C, PLA2G4B KIF11 4727/4885LTA4H 35/4885NR1H2 572/4885
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B KIF11 4782/4885LTA4H 24/4885NR1H2 1416/4885
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 KIF11 4843/4885LTA4H 33/4885NR1H2 1610/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 KIF11 4674/4885LTA4H 44/4885NR1H2 297/4885

“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.