SCHEMBL9107401

SCHEMBL9107401

COC(=O)/C(=C\O)Cc1cnn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
GSK3B P49841 5/20 0.34
DYRK1A Q13627 1/20 0.34
NAMPT P43490 2/20 0.34
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33

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
SCHEMBL9107405 1.00 SMN1; SMN2 (0.42) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL15262697 1.00 SMN1; SMN2 (0.42) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL9107215 0.87 MEN1 (0.41) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL4424678 0.87 ALDH1A1 (0.41) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL9107217 0.87 MEN1 (0.41) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL4424681 0.87 ALDH1A1 (0.41) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL9107212 0.87 MEN1 (0.41) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL9107961 0.83 ALDH1A1 (0.42) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL9107974 0.83 ALDH1A1 (0.42) SMN1; SMN2GAAMEN1KMT2AHSD17B10
SCHEMBL877044 0.78 MEN1 (0.47) SMN1; SMN2GAAMEN1KMT2AHSD17B10

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
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP 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-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-2013000267-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国科学院上海药物研究所 (CN) 2013-01-03 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 SMN1; SMN2 3782/4885GAA 557/4885MEN1 2728/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 SMN1; SMN2 3782/4885GAA 557/4885MEN1 2728/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2828/4885GAA 729/4885MEN1 2146/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2782/4885GAA 694/4885MEN1 2195/4885

“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.