SCHEMBL9109728

SCHEMBL9109728

Cn1cc(Cc2c[nH]c(CCc3ccc(Oc4cccc(C(F)(F)F)c4)cc3)nc2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
LTA4H P09960 1/20 0.38
SCN9A Q15858 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MET P08581 1/20 0.36
KIF11 P52732 1/20 0.36
NPBWR1 P48145 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
PLA2G7 Q13093 1/20 0.35
PPARG P37231 1/20 0.34
MGLL Q99685 1/20 0.34
ADORA1 P30542 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
SCHEMBL9108735 0.86 PLA2G7 (0.46) KDRPLA2G7
SCHEMBL9106127 0.85 PLA2G7 (0.44) LTA4HSCN9AKIF11SSTR1SSTR2
SCHEMBL9108265 0.85 PLA2G7 (0.42) PLA2G7
SCHEMBL9108445 0.85 KIF11 (0.40) LTA4HSCN9AKIF11
SCHEMBL9889591 0.85 NTRK1 (0.39) NTRK1LTA4HSCN9AGRIN1GRIN2B
SCHEMBL9105930 0.84 FABP4 (0.38) LTA4HSCN9AKIF11NPBWR1SSTR1
SCHEMBL9108319 0.79 PLA2G7 (0.42) LTA4HNPBWR1TEKPLA2G7
SCHEMBL9105237 0.77 PLA2G7 (0.39) NTRK1METPLA2G7
SCHEMBL9106328 0.77 PLA2G7 (0.41) PLA2G7
SCHEMBL9103064 0.76 PLA2G7 (0.38) SCN9AMETPLA2G7

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 21 patents — showing the first 20. 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
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-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US 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-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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP 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
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
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
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
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 NTRK1 4862/4885LTA4H 15/4885SCN9A 4224/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 NTRK1 4862/4885LTA4H 15/4885SCN9A 4224/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B NTRK1 4723/4885LTA4H 14/4885SCN9A 4695/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B NTRK1 4729/4885LTA4H 18/4885SCN9A 4668/4885

“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.