SCHEMBL7004600

SCHEMBL7004600

COC(=O)CCc1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 2/20 0.40
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
HPGDS O60760 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
VNN1 O95497 2/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12923193 0.90 TSHR (0.44) CCNCCDK8HDAC3HDAC1HDAC2
SCHEMBL15568312 0.89 TBXAS1 (0.43) CCNCCDK8HDAC3HDAC1HDAC2
SCHEMBL2490236 0.83 KMT2A (0.47) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL29798883 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6TSHR
SCHEMBL5306141 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6TSHR
SCHEMBL7450027 0.82 GPR119 (0.38) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL1532612 0.80 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6TSHR
SCHEMBL27942339 0.80 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6TSHR
SCHEMBL27990282 0.79 KDM4E (0.40) HDAC3HDAC1HDAC2HDAC6TSHR
SCHEMBL1648472 0.78 KDM4E (0.45) HDAC3HDAC1HDAC2HDAC6TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (1 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 CCNC 1905/4885CDK8 1170/4885HDAC3 3319/4885

“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.