SCHEMBL875984

SCHEMBL875984

OCc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.53
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47
KIF11 P52732 1/20 0.43
PTPN7 P35236 3/20 0.43
DUSP3 P51452 3/20 0.43
TTR P02766 1/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
USP28 Q96RU2 1/20 0.39
USP25 Q9UHP3 1/20 0.39
PLA2G7 Q13093 3/20 0.38
FFAR1 O14842 1/20 0.36
SLC22A12 Q96S37 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
SCHEMBL29918343 0.88 AR (0.50) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL14656196 0.88 AR (0.50) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL24385765 0.88 AR (0.53) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL14656344 0.85 KIF11 (0.51) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL875361 0.84 AR (0.68) ARPLA2G7SLC22A12
SCHEMBL14661904 0.84 AR (0.75) AR
SCHEMBL9900607 0.83 TTR (0.46) ARHTR2ASLC6A4TTRROCK2
SCHEMBL29918426 0.83 TTR (0.46) ARHTR2ASLC6A4TTRROCK2
SCHEMBL14663638 0.83 AR (0.50) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL14656157 0.82 PLA2G7 (0.44) ARHTR2ASLC6A4KCNH2KIF11

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 21 patents — showing the first 20. 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-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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 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-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
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 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
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
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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 (5 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 AR 3960/4885HTR2A 854/4885SLC6A4 4759/4885
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B AR 4584/4885HTR2A 1584/4885SLC6A4 3984/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885HTR2A 1581/4885SLC6A4 4537/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 AR 4420/4885HTR2A 1815/4885SLC6A4 4617/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885HTR2A 1581/4885SLC6A4 4537/4885

“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.