SCHEMBL2845314

SCHEMBL2845314

CCCCCCNC1CN(c2nc3cccc(C(=O)OCC)c3s2)CCC1NC(=O)c1nc(Cl)c(CC)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.35
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
CLK2 P49760 1/20 0.32
MAP4K2 Q12851 1/20 0.32
CAMK2D Q13557 1/20 0.32
DYRK1A Q13627 1/20 0.32
PIM3 Q86V86 1/20 0.32
AURKB Q96GD4 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
STK17A Q9UEE5 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
ABCC2 Q92887 1/20 0.32
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2845321 1.00 PCSK9 (0.35) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2843653 0.99 PCSK9 (0.36) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2843647 0.99 PCSK9 (0.36) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2847116 0.97 PCSK9 (0.36) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2847112 0.97 PCSK9 (0.36) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2847401 0.97 PCSK9 (0.36) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2848297 0.95 PCSK9 (0.37) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2848292 0.95 PCSK9 (0.37) PCSK9PRKD3MAP4K4PIM1CLK2
SCHEMBL2853124 0.92 ABCC2 (0.33) ABCC2PARP1
SCHEMBL2853121 0.92 ABCC2 (0.33) ABCC2PARP1

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 2830/4885PRKD3 2429/4885MAP4K4 990/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PCSK9 1287/4885PRKD3 2876/4885MAP4K4 1121/4885

“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.