SCHEMBL16617329

SCHEMBL16617329

COc1ncc(Cc2c(C)[nH]c(SCCc3ccc(Oc4cccc(C(F)(F)F)c4)c(C#N)c3)nc2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
PLA2G7 Q13093 2/20 0.32
AR P10275 1/20 0.32
SCN9A Q15858 2/20 0.32

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
SCHEMBL9900595 0.90 TP53 (0.46) CYP1A2CYP2C9CYP2C19RECQLMEN1
SCHEMBL9106247 0.88 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19RECQLMEN1
SCHEMBL9900956 0.88 PLA2G7 (0.43) MEN1KMT2ATNFPOLBNOD2
SCHEMBL9101782 0.84 PLA2G7 (0.39) CYP1A2CYP2C9CYP2C19RECQLPLA2G7
SCHEMBL9104737 0.81 KMT2A (0.38) CYP1A2CYP2C9CYP2C19RECQLMEN1
SCHEMBL9901544 0.81 DAO (0.45) CYP1A2CYP2C9CYP2C19RECQLMEN1
SCHEMBL9889651 0.80 AR (0.36) CYP2C19TP53SMN1; SMN2PLA2G7AR
SCHEMBL9901012 0.79 PLA2G7 (0.45) MEN1KMT2ATNFPOLBNOD2
SCHEMBL9900977 0.78 PLA2G7 (0.43) MEN1KMT2ATP53SMN1; SMN2HTT
SCHEMBL9892573 0.78 PLA2G7 (0.35) CYP1A2CYP2C9CYP2C19RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US 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-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CYP1A2 3087/4885CYP2C9 4061/4885CYP2C19 3017/4885

“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.