SCHEMBL14656159

SCHEMBL14656159

CCOC(=O)c1cnc(Oc2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.44
F10 P00742 1/20 0.43
MAOB P27338 4/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
CYP1A2 P05177 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
POLB P06746 2/20 0.42
PDE4B Q07343 1/20 0.41
CHRNA7 P36544 1/20 0.41
VNN1 O95497 1/20 0.41
P2RX3 P56373 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL21628659 0.89 MAOB (0.52) P2RY12F10MAOBS1PR1S1PR3
SCHEMBL21628642 0.88 MAOB (0.48) F10MAOBS1PR1S1PR3CYP1A2
SCHEMBL21628761 0.84 MAOB (0.46) F10MAOBS1PR1S1PR3CYP1A2
SCHEMBL21628788 0.84 S1PR1 (0.48) P2RY12MAOBS1PR1S1PR3CYP1A2
SCHEMBL21628567 0.84 MAOB (0.57) MAOBCYP1A2CYP2C9CYP2C19POLB
SCHEMBL20827025 0.84 MAOB (0.47) F10MAOBS1PR1S1PR3CYP1A2
SCHEMBL21628677 0.83 S1PR1 (0.45) F10MAOBS1PR1S1PR3CYP1A2
SCHEMBL14656269 0.83 MAOB (0.49) F10MAOBPDE4BCHRNA7VNN1
SCHEMBL21628715 0.82 MAOB (0.44) MAOBCYP1A2CYP2C9CYP2C19POLB
SCHEMBL21628869 0.82 MAOB (0.40) F10MAOBS1PR1S1PR3CYP1A2

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 9 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-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
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 P2RY12 146/4885F10 3066/4885MAOB 356/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 P2RY12 641/4885F10 1207/4885MAOB 474/4885

“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.