SCHEMBL2595463

SCHEMBL2595463

COc1cc(CNCc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00
AURKA O14965 2/20 0.66
FLT4 P35916 2/20 0.66
GSK3B P49841 2/20 0.66
RPS6KA3 P51812 2/20 0.66
KDR P35968 1/20 0.66
GSK3A P49840 1/20 0.66
STK3 Q13188 1/20 0.66
IKBKB O14920 1/20 0.65
DCLK1 O15075 1/20 0.65
RPS6KA5 O75582 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
RET P07949 1/20 0.65
PHKG2 P15735 1/20 0.65
CDK2 P24941 1/20 0.65
MAPKAPK2 P49137 1/20 0.65
CLK2 P49760 1/20 0.65
IRAK1 P51617 1/20 0.65
CSNK1G2 P78368 1/20 0.65

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
Hydrochloric Acid SCHEMBL2595386 0.99 CHEK1 (0.98) CHEK1AURKAFLT4GSK3BRPS6KA3
SCHEMBL14768403 0.93 CHEK1 (0.88) CHEK1
SCHEMBL2595404 0.92 CHEK1 (1.00) CHEK1
SCHEMBL12184186 0.87 CHEK1 (0.77) CHEK1
SCHEMBL2595395 0.87 CHEK1 (1.00) CHEK1
SCHEMBL2593359 0.86 CHEK1 (1.00) CHEK1
SCHEMBL2593325 0.86 CHEK1 (1.00) CHEK1
SCHEMBL2593416 0.85 CHEK1 (1.00) CHEK1
SCHEMBL2596003 0.84 CHEK1 (1.00) CHEK1
SCHEMBL14768402 0.84 CHEK1 (0.73) CHEK1AURKAFLT4GSK3BRPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US claimed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP claimed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US claimed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO claimed
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
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 105/4885AURKA 65/4885FLT4 610/4885

“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.