SCHEMBL9101853

SCHEMBL9101853

COC(=O)C=Cc1cnc(C)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TYR P14679 1/20 0.53
FDPS P14324 2/20 0.49
TTR P02766 1/20 0.49
APP P05067 1/20 0.49
MEN1 O00255 2/20 0.47
PTPN1 P18031 1/20 0.46
EPHX2 P34913 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
JAK2 O60674 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9101846 1.00 KDM4E (0.55) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL9889434 0.84 KDM4E (0.54) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL3629522 0.84 KDM4E (0.54) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL21679085 0.84 KDM4E (0.54) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL20153503 0.84 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL21679084 0.84 KDM4E (0.54) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL20153464 0.81 KDM4E (0.38) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL439860 0.81 CA12 (0.57) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL7397047 0.81 CA12 (0.57) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL4419344 0.80 KDM4E (0.50) KDM4EKMT2ASMN1; SMN2CA12CA1

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
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-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
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
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

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 KDM4E 3871/4885KMT2A 4245/4885SMN1; SMN2 3782/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 KDM4E 3871/4885KMT2A 4245/4885SMN1; SMN2 3782/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDM4E 3024/4885KMT2A 3072/4885SMN1; SMN2 2828/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDM4E 3085/4885KMT2A 3147/4885SMN1; SMN2 2782/4885

“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.