SCHEMBL2854646

SCHEMBL2854646

COC(=O)c1cccc2[nH]c(N3CCC(N)C(OC)C3)nc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.51
RIPK1 Q13546 2/20 0.49
PARP1 P09874 15/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
CLK2 P49760 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CAMK2D Q13557 1/20 0.47
DYRK1A Q13627 1/20 0.47
PIM3 Q86V86 1/20 0.47
AURKB Q96GD4 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45

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
SCHEMBL2854650 1.00 CRBN (0.51) CRBNRIPK1PARP1PRKD3MAP4K4
SCHEMBL2852191 0.79 CRBN (0.43) CRBNRIPK1PARP1PRKD3MAP4K4
SCHEMBL2852197 0.79 CRBN (0.43) CRBNRIPK1PARP1PRKD3MAP4K4
SCHEMBL16363041 0.77 CRBN (0.59) CRBNRIPK1PARP1PKN1PKN2
SCHEMBL17697629 0.77 CRBN (0.59) CRBNRIPK1PARP1PKN1PKN2
SCHEMBL2849804 0.76 CRBN (0.41) CRBNRIPK1PARP1PRKD3MAP4K4
SCHEMBL13787603 0.76 CRBN (0.41) CRBNRIPK1PARP1PRKD3MAP4K4
SCHEMBL2849805 0.76 CRBN (0.41) CRBNRIPK1PARP1PRKD3MAP4K4
SCHEMBL2845300 0.75 OPRK1 (0.43) PIM1PIM3
SCHEMBL2845302 0.75 OPRK1 (0.43) PIM1PIM3

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 CRBN 3329/4885RIPK1 1955/4885PARP1 21/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CRBN 3578/4885RIPK1 2988/4885PARP1 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.