SCHEMBL15905010

SCHEMBL15905010

C[C@H]1CCn2c(cc(OCc3ccc(Oc4cccc(C(F)(F)F)c4)c(C#N)c3)nc2=O)N1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 9/20 0.52
SCN9A Q15858 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
S1PR1 P21453 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
POLB P06746 1/20 0.35
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL15904877 1.00 PLA2G7 (0.52) PLA2G7SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL15904880 1.00 PLA2G7 (0.52) PLA2G7SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL15901675 0.93 PLA2G7 (0.52) PLA2G7SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL15905198 0.92 PLA2G7 (0.54) PLA2G7SCN9AS1PR1GPR84
SCHEMBL15905050 0.92 PLA2G7 (0.54) PLA2G7SCN9AS1PR1GPR84
SCHEMBL15905051 0.92 PLA2G7 (0.54) PLA2G7SCN9AS1PR1GPR84
SCHEMBL15905309 0.90 PLA2G7 (0.49) PLA2G7SCN9AS1PR1GPR84
SCHEMBL15904984 0.90 PLA2G7 (0.49) PLA2G7SCN9AS1PR1GPR84
SCHEMBL15904986 0.90 PLA2G7 (0.49) PLA2G7SCN9AS1PR1GPR84
SCHEMBL17302918 0.90 PLA2G7 (0.48) PLA2G7SCN9AS1PR1GPR84

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
US-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 US disclosed
EP-2948456-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GlaxoSmithKline Intellectual Property Development Limited (GB) 2015-12-02 EP disclosed
WO-2014114249-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 WO disclosed
WO-2014114249-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 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 (1 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-20150344485-A1 BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2 PLA2G4A, PLA2G7, PLA2G6 PLA2G7 2/4885SCN9A 4479/4885CYP1A2 2260/4885

“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.