SCHEMBL14656176

SCHEMBL14656176

O=Cc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.48
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
KIF11 P52732 1/20 0.43
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
TTR P02766 1/20 0.38
PLA2G7 Q13093 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
ESRRA P11474 2/20 0.35
SCN9A Q15858 1/20 0.35
HSPB1 P04792 1/20 0.35

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
SCHEMBL9101725 0.88 SCN9A (0.47) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL1283899 0.85 KIF11 (0.51) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL875640 0.84 AR (0.57) ARSLC22A12PLA2G7ESRRA
SCHEMBL14663623 0.84 AR (0.71) ARESRRA
SCHEMBL9904833 0.83 TTR (0.43) HTR2ASLC6A4TTRALDH1A1POLB
SCHEMBL14662479 0.83 KIF11 (0.43) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL14671197 0.82 KIF11 (0.42) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL15909890 0.82 TTR (0.43) ARHTR2ASLC6A4KCNH2KIF11
SCHEMBL26236493 0.81 TTR (0.50) TTRALDH1A1POLBMEN1HPGD
SCHEMBL14656430 0.79 HTR2A (0.46) HTR2ASLC6A4KCNH2TTRALDH1A1

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 12 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-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 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-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 (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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B AR 4584/4885HTR2A 1584/4885SLC6A4 3984/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 AR 4420/4885HTR2A 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.