SCHEMBL2824199

SCHEMBL2824199

CCOC(=O)c1cccc2nc(N3CC(N)C3)sc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
CLK2 P49760 1/20 0.45
MAP4K2 Q12851 1/20 0.45
CAMK2D Q13557 1/20 0.45
DYRK1A Q13627 1/20 0.45
PIM3 Q86V86 1/20 0.45
AURKB Q96GD4 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
STK17A Q9UEE5 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2822570 0.81 PDE10A (0.42) MAP4K4ALDH1A1GAAMAPTHPGD
SCHEMBL260372 0.77 ALDH1A1 (0.51) ALDH1A1GAAMAPTHPGDMAPK1
SCHEMBL2822338 0.76 PCSK9 (0.38) PRKD3MAP4K4PIM1CLK2MAP4K2
Bromide SCHEMBL261347 0.76 ALDH1A1 (0.50) ALDH1A1GAAMAPTHPGDMAPK1
SCHEMBL1553043 0.76 TSHR (0.51) ALDH1A1GAAMAPTHPGDNPSR1
SCHEMBL2823614 0.76 PCSK9 (0.58) ALDH1A1GAAMAPTHPGDKDM4E
SCHEMBL6112936 0.74 TSHR (0.50) ALDH1A1GAAMAPTHPGDMAPK1
SCHEMBL2822554 0.73 ALDH1A1 (0.51) ALDH1A1GAAMAPTHPGDMAPK1
SCHEMBL4878363 0.72 MAPT (0.37) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL2822653 0.70 OGA (0.50) ALDH1A1GAAMAPTHPGDMAPK1

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 PRKD3 2429/4885MAP4K4 990/4885PIM1 1069/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PRKD3 2876/4885MAP4K4 1121/4885PIM1 1242/4885

“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.