SCHEMBL14656239

SCHEMBL14656239

N#Cc1ccc(Oc2ccc(C=O)cc2C#N)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.47
AR P10275 2/20 0.45
ESRRA P11474 3/20 0.41
TTR P02766 1/20 0.41
PLA2G7 Q13093 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14656177 0.93 SLC22A12 (0.48) SLC22A12ARESRRATTRPLA2G7
SCHEMBL14661910 0.93 AR (0.50) SLC22A12ARESRRATTRPLA2G7
SCHEMBL14661906 0.90 SLC22A12 (0.48) SLC22A12ARESRRATTR
SCHEMBL14656186 0.89 SLC22A12 (0.51) SLC22A12ARESRRAPLA2G7
SCHEMBL14662061 0.89 AR (0.44) SLC22A12ARESRRATTRPLA2G7
SCHEMBL14663535 0.89 TTR (0.41) SLC22A12ARESRRATTRALDH1A1
SCHEMBL14662287 0.87 AR (0.54) ARESRRA
SCHEMBL14656413 0.87 SLC22A12 (0.48) SLC22A12ARTTRPLA2G7ALDH1A1
SCHEMBL4809997 0.87 SLC22A12 (0.47) SLC22A12ARESRRATRPV4ALDH1A1
SCHEMBL14656131 0.87 SLC22A12 (0.51) SLC22A12ARESRRA

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
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-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-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
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-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
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

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-20140179715-A1 2,3-DIHYDROIMIDAZO[1 ,2-c] PYRIMIDIN-5(1 H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS PLA2G4A, PLA2G4C, PLA2G4B SLC22A12 4052/4885AR 3960/4885ESRRA 4578/4885
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B SLC22A12 3061/4885AR 4584/4885ESRRA 4814/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 SLC22A12 3088/4885AR 4420/4885ESRRA 4156/4885

“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.