SCHEMBL9923491

SCHEMBL9923491

Oc1ncc(Cl)c(OCCc2cnc(Oc3ccc(F)c(C(F)(F)F)c3)c(F)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
PLA2G7 Q13093 10/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
LMNA P02545 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9900913 0.94 PLA2G7 (0.41) PLA2G7GPR84BRAFKDR
SCHEMBL9923488 0.91 PLA2G7 (0.35) HTR2ASLC6A4KCNH2PLA2G7SMN1; SMN2
SCHEMBL9900872 0.90 HTR2A (0.39) HTR2ASLC6A4KCNH2PLA2G7SMN1; SMN2
SCHEMBL9923487 0.89 GPR84 (0.42) PLA2G7GPR84BRAFKDR
SCHEMBL9904748 0.84 PLA2G7 (0.42) PLA2G7GPR84BRAFKDR
SCHEMBL9905023 0.83 POLB (0.41) HTR2ASLC6A4KCNH2PLA2G7SMN1; SMN2
SCHEMBL9904851 0.82 PLA2G7 (0.39) HTR2ASLC6A4KCNH2PLA2G7SMN1; SMN2
SCHEMBL15277235 0.81 PLA2G7 (0.52) PLA2G7SMN1; SMN2GPR84BRAFKDR
SCHEMBL9901028 0.79 PLA2G7 (0.38) HTR2ASLC6A4KCNH2PLA2G7SMN1; SMN2
SCHEMBL15277237 0.78 PLA2G7 (0.35) HTR2ASLC6A4KCNH2PLA2G7KDR

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

“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.