SCHEMBL9106897

SCHEMBL9106897

C=C(C(=O)OC)C(O)c1cnc(C)nc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
P2RX3 P56373 5/20 0.34
P2RX2 Q9UBL9 5/20 0.34
CASP1 P29466 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 7/20 0.32
RAB9A P51151 1/20 0.31
VNN1 O95497 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9107644 0.83 HDAC1 (0.41) HPGDP2RX3P2RX2CASP1P2RX7
SCHEMBL9109370 0.78 KCNQ3 (0.38) HPGDCASP1ALDH1A1RAB9AMEN1
SCHEMBL9103175 0.78 ALDH1A1 (0.33) P2RX3P2RX2ALDH1A1
SCHEMBL15965560 0.76 HPGD (0.44) HPGDCASP1ALDH1A1MEN1MAPT
SCHEMBL30189285 0.74 P2RX7 (0.33) HPGDP2RX3P2RX2CASP1P2RX7
SCHEMBL13204521 0.74 HPGD (0.65) HPGDCASP1ALDH1A1RAB9AMAPT
SCHEMBL1692271 0.74 HPGD (0.65) HPGDCASP1ALDH1A1RAB9AMAPT
SCHEMBL19118080 0.74 HPGD (0.65) HPGDCASP1ALDH1A1RAB9AMAPT
SCHEMBL29301529 0.73 RAB9A (0.39) CASP1ALDH1A1RAB9AVNN1MEN1
SCHEMBL24091708 0.71 RAB9A (0.49) HPGDALDH1A1RAB9AMEN1MAPT

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 HPGD 602/4885P2RX3 1316/4885P2RX2 843/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 HPGD 602/4885P2RX3 1316/4885P2RX2 843/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B HPGD 360/4885P2RX3 1197/4885P2RX2 772/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B HPGD 335/4885P2RX3 1149/4885P2RX2 741/4885

“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.