SCHEMBL9892572

SCHEMBL9892572

CN1CCN(Cc2c[nH]c(SCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.43
PLA2G7 Q13093 8/20 0.42
SRC P12931 5/20 0.41
FGFR4 P22455 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
CDK8 P49336 1/20 0.37
MET P08581 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL9108671 0.95 ABL1 (0.43) ABL1PLA2G7SRCFGFR4CDK1
SCHEMBL9107962 0.93 SCN9A (0.42) PLA2G7CDK8
SCHEMBL9108137 0.92 SCN9A (0.41) PLA2G7CDK8
SCHEMBL9889607 0.88 AXL (0.37) ABL1
SCHEMBL9109745 0.87 PLA2G7 (0.38) PLA2G7
SCHEMBL9104734 0.86 PLA2G7 (0.42) PLA2G7CDK8
SCHEMBL9103406 0.84 PLA2G7 (0.42) PLA2G7CDK8
SCHEMBL9104306 0.83 PLA2G7 (0.44) PLA2G7
SCHEMBL9889610 0.81 HRH3 (0.43)
SCHEMBL9104868 0.81 FLT1 (0.38) PLA2G7

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
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 ABL1 4838/4885PLA2G7 6/4885SRC 4631/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ABL1 4524/4885PLA2G7 4/4885SRC 4808/4885

“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.