SCHEMBL14656114

SCHEMBL14656114

O=c1nc(OCc2cc(F)c(Oc3cccc(F)c3)c(F)c2)cc2n1CCCN2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 16/20 0.43
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CYP1A2 P05177 1/20 0.38
GRM5 P41594 1/20 0.38
SLC6A4 P31645 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
SCHEMBL14656243 0.90 PLA2G7 (0.45) PLA2G7
SCHEMBL14656217 0.89 PLA2G7 (0.42) PLA2G7SLC6A2SLC6A3CYP1A2GRM5
SCHEMBL14656194 0.89 PLA2G7 (0.46) PLA2G7
SCHEMBL14656411 0.85 PLA2G7 (0.55) PLA2G7
SCHEMBL14670103 0.84 PLA2G7 (0.44) PLA2G7
SCHEMBL15905072 0.83 PLA2G7 (0.44) PLA2G7
SCHEMBL14656079 0.82 PLA2G7 (0.46) PLA2G7
SCHEMBL14656184 0.82 GPR84 (0.37) PLA2G7GRM5
SCHEMBL14656156 0.82 PLA2G7 (0.51) PLA2G7
SCHEMBL14656498 0.80 GRM5 (0.41) PLA2G7CYP1A2GRM5

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 PLA2G7 1/4885SLC6A2 3545/4885SLC6A3 4123/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 PLA2G7 2/4885SLC6A2 3980/4885SLC6A3 4664/4885

“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.