SCHEMBL9905023

SCHEMBL9905023

Fc1ccc(Oc2ncc(CCOc3nc(Cl)ncc3F)cc2F)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
KCNH2 Q12809 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
PLA2G7 Q13093 10/20 0.35
PIN1 Q13526 2/20 0.34
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LTA4H P09960 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9923513 0.93 GPR84 (0.44) POLBCASP6GPR84PLA2G7
SCHEMBL9900872 0.93 HTR2A (0.39) POLBCASP6KCNH2HTR2ASLC6A4
SCHEMBL9923488 0.88 PLA2G7 (0.35) KCNH2HTR2ASLC6A4GPR84PLA2G7
SCHEMBL9904748 0.87 PLA2G7 (0.42) GPR84PLA2G7
SCHEMBL9904664 0.87 PLA2G7 (0.38) POLBCASP6KCNH2HTR2ASLC6A4
SCHEMBL9923487 0.83 GPR84 (0.42) GPR84PLA2G7
SCHEMBL9923491 0.83 HTR2A (0.37) KCNH2HTR2ASLC6A4GPR84PLA2G7
SCHEMBL9905509 0.83 PLA2G7 (0.36) GPR84PLA2G7ALDH1A1
SCHEMBL9905581 0.81 PLA2G7 (0.52) POLBCASP6GPR84PLA2G7PIN1
SCHEMBL9904539 0.81 PLA2G7 (0.35) KCNH2HTR2ASLC6A4GPR84PLA2G7

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 POLB 2258/4885CASP6 1331/4885KCNH2 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.