SCHEMBL2822338

SCHEMBL2822338

CCOC(=O)c1cccc2nc(N3CC(NC(=O)c4nc(Cl)c(CC)[nH]4)C3)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.38
CHRM4 P08173 2/20 0.36
PARP1 P09874 4/20 0.36
CHRM2 P08172 1/20 0.36
P2RY12 Q9H244 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TOP2A P11388 2/20 0.35
OPRK1 P41145 1/20 0.34
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
CLK2 P49760 1/20 0.33
MAP4K2 Q12851 1/20 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
SCHEMBL2822563 0.90 PARP1 (0.38) CHRM4PARP1CHRM2TOP2A
SCHEMBL2850166 0.87 PCSK9 (0.37) PCSK9OPRK1PRKD3MAP4K4PIM1
SCHEMBL2847289 0.87 PCSK9 (0.37) PCSK9OPRK1PRKD3MAP4K4PIM1
SCHEMBL2847283 0.87 PCSK9 (0.37) PCSK9OPRK1PRKD3MAP4K4PIM1
SCHEMBL2822757 0.86 PRKD3 (0.38) PCSK9KDM4EALDH1A1GAAMAPT
SCHEMBL2847093 0.86 PRKD3 (0.38) PCSK9KDM4EALDH1A1GAAMAPT
SCHEMBL2848297 0.86 PCSK9 (0.37) PCSK9PARP1KDM4EALDH1A1GAA
SCHEMBL2848292 0.86 PCSK9 (0.37) PCSK9PARP1KDM4EALDH1A1GAA
SCHEMBL2845981 0.86 PCSK9 (0.36) PCSK9KDM4EALDH1A1GAAMAPT
SCHEMBL2844720 0.86 ABCC2 (0.37) PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PCSK9 2830/4885CHRM4 3852/4885PARP1 21/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PCSK9 1287/4885CHRM4 4223/4885PARP1 10/4885

“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.