SCHEMBL2589860

SCHEMBL2589860

CC(C)(C)OC(=O)N(CCc1ccc(NC(=O)Nc2cnc(C#N)cn2)cc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.61
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
MAP4K4 O95819 1/20 0.44
RET P07949 1/20 0.44
PIM1 P11309 1/20 0.44
KDR P35968 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
NEK4 P51957 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK1G2 P78368 1/20 0.44
CAMK2D Q13557 1/20 0.44
DYRK1A Q13627 1/20 0.44
NTRK3 Q16288 1/20 0.44
PIM3 Q86V86 1/20 0.44
MINK1 Q8N4C8 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
SCHEMBL14761989 0.87 CHEK1 (0.49) CHEK1
SCHEMBL2595450 0.82 CHEK1 (0.75) CHEK1
SCHEMBL2596028 0.81 CHEK1 (0.69) CHEK1
SCHEMBL14761986 0.79 CHEK1 (0.51) CHEK1
SCHEMBL16991959 0.79 CHEK1 (0.44) CHEK1KDRGSK3AGSK3B
SCHEMBL16991957 0.79 CHEK1 (0.44) CHEK1KDRGSK3AGSK3B
SCHEMBL2595439 0.78 CHEK1 (0.70) CHEK1
Hydrochloric Acid SCHEMBL14762121 0.78 CHEK1 (0.69) CHEK1
SCHEMBL2593320 0.76 CHEK1 (1.00) CHEK1
SCHEMBL2589877 0.75 CHEK1 (1.00) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E CHEK1 105/4885PDPK1 256/4885DYRK3 352/4885

“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.