SCHEMBL9103119

SCHEMBL9103119

COc1ncc(Cc2c[nH]c(OCCc3ccc(Oc4ncccn4)cc3)nc2=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.35
PLA2G7 Q13093 8/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 5/20 0.34
TSHR P16473 5/20 0.34
USP2 O75604 4/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 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
SCHEMBL9889676 0.92 PLA2G7 (0.35) P2RX3PLA2G7ALDH1A1CYP1A2CYP3A4
SCHEMBL9108589 0.91 PLA2G7 (0.38) P2RX3PLA2G7ALDH1A1CYP1A2CYP3A4
SCHEMBL9105717 0.89 PLA2G7 (0.41) PLA2G7ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL15275202 0.89 PLA2G7 (0.37) P2RX3PLA2G7CYP2C9CYP2C19
SCHEMBL9112903 0.89 PLA2G7 (0.40) PLA2G7ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL15275206 0.88 PLA2G7 (0.40) P2RX3PLA2G7
SCHEMBL9889673 0.88 PLA2G7 (0.36) P2RX3PLA2G7
SCHEMBL9102397 0.86 PLA2G7 (0.34) P2RX3PLA2G7ALDH1A1CYP1A2CYP3A4
SCHEMBL9904529 0.86 PLA2G7 (0.42) PLA2G7
SCHEMBL9889669 0.85 P2RX3 (0.38) P2RX3CYP2C9CYP2C19

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 P2RX3 1316/4885PLA2G7 6/4885ALDH1A1 3079/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 P2RX3 1316/4885PLA2G7 6/4885ALDH1A1 3079/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B P2RX3 1197/4885PLA2G7 4/4885ALDH1A1 1976/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B P2RX3 1149/4885PLA2G7 4/4885ALDH1A1 2042/4885

“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.