SCHEMBL9900889

SCHEMBL9900889

C=Cc1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
CDK8 P49336 2/20 0.36
PLA2G7 Q13093 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
BACE1 P56817 1/20 0.34
LTA4H P09960 1/20 0.34
SCN9A Q15858 1/20 0.33
STK17A Q9UEE5 2/20 0.33
STK17B O94768 1/20 0.33
BRAF P15056 2/20 0.32
KDR P35968 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
SCHEMBL9900387 0.89 KDR (0.42) PLA2G7SCN9ABRAFKDR
SCHEMBL875765 0.87 ALDH1A1 (0.41) KCNH2HTR2ASLC6A4CDK8PLA2G7
SCHEMBL876023 0.79 KCNH2 (0.39) KCNH2HTR2ASLC6A4CDK8PLA2G7
SCHEMBL9901028 0.77 PLA2G7 (0.38) KCNH2HTR2ASLC6A4CDK8PLA2G7
SCHEMBL875574 0.76 KDR (0.44) CDK8PLA2G7SCN9ABRAFKDR
SCHEMBL876035 0.76 CDK8 (0.45) KCNH2HTR2ASLC6A4CDK8PLA2G7
SCHEMBL13531352 0.73 TRPA1 (0.43) KCNH2HTR2ASLC6A4CDK8PLA2G7
SCHEMBL23771636 0.71 AGER (0.53) KCNH2HTR2ASLC6A4
SCHEMBL17467929 0.71 ALDH1A1 (0.63) KCNH2HTR2ASLC6A4CDK8PLA2G7
SCHEMBL248689 0.71 TRPA1 (0.45) KCNH2HTR2ASLC6A4CDK8BRAF

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-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
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 KCNH2 4023/4885HTR2A 2268/4885SLC6A4 4549/4885

“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.