SCHEMBL9901028

SCHEMBL9901028

OCCc1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.38
KCNH2 Q12809 3/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
CDK8 P49336 2/20 0.37
LTA4H P09960 5/20 0.36
NR3C2 P08235 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
VNN1 O95497 3/20 0.34
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SCN9A Q15858 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
SCHEMBL876023 0.90 KCNH2 (0.39) PLA2G7KCNH2HTR2ASLC6A4CDK8
SCHEMBL9900810 0.89 BRAF (0.43) PLA2G7SMN1; SMN2SCN9A
SCHEMBL14656218 0.85 TRPA1 (0.40) KCNH2LTA4HSMN1; SMN2
SCHEMBL9904726 0.82 THRB (0.39) PLA2G7KCNH2HTR2ASLC6A4CDK8
SCHEMBL9923488 0.81 PLA2G7 (0.35) PLA2G7KCNH2HTR2ASLC6A4CDK8
SCHEMBL9905023 0.79 POLB (0.41) PLA2G7KCNH2HTR2ASLC6A4LTA4H
SCHEMBL875283 0.79 BRAF (0.44) PLA2G7SMN1; SMN2SCN9A
SCHEMBL9923491 0.79 HTR2A (0.37) PLA2G7KCNH2HTR2ASLC6A4SMN1; SMN2
SCHEMBL9900872 0.78 HTR2A (0.39) PLA2G7KCNH2HTR2ASLC6A4SMN1; SMN2
SCHEMBL9900889 0.77 KCNH2 (0.39) PLA2G7KCNH2HTR2ASLC6A4CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B PLA2G7 6/4885KCNH2 4023/4885HTR2A 2268/4885

“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.