SCHEMBL4422019

SCHEMBL4422019

COC(=O)CCc1cnn(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 5/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
DGAT2 Q96PD7 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6133131 0.84 CYP4F2 (0.51) MEN1KMT2AHSD17B10ALDH1A1HRH3
SCHEMBL877044 0.83 MEN1 (0.47) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4573217 0.81 MEN1 (0.48) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4414182 0.81 MEN1 (0.48) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4411971 0.80 GAA (0.42) MEN1KMT2AHSD17B10HRH3CYP11B1
SCHEMBL22734852 0.80 MEN1 (0.43) MEN1KMT2AHSD17B10ALDH1A1DGAT2
SCHEMBL4662749 0.79 MEN1 (0.47) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL17824738 0.79 MEN1 (0.47) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL23932729 0.78 MEN1 (0.46) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL28856739 0.75 RXRA (0.47) MEN1KMT2AHSD17B10ALDH1A1HRH3

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 CN disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 WO disclosed
WO-2016180247-A1 BICYCLIC COMPOUND USED AS AN LP-PLA2 INHIBITOR, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 中国科学院上海药物研究所 2016-11-17 WO 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
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
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP disclosed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 US disclosed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
CN-1358175-A Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2002-07-10 CN disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
WO-2000066567-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 WO 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C MEN1 4462/4885KMT2A 3285/4885HSD17B10 921/4885
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A MEN1 3692/4885KMT2A 3576/4885HSD17B10 940/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A MEN1 3692/4885KMT2A 3576/4885HSD17B10 940/4885
US-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 MEN1 3004/4885KMT2A 3219/4885HSD17B10 772/4885

“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.