SCHEMBL4920526

SCHEMBL4920526

O=c1c(NCc2cccc(O)c2)c(Nc2ccc(O)c(-n3ccnc3)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.45
AURKB Q96GD4 8/20 0.45
CHEK2 O96017 7/20 0.45
PRKACA P17612 7/20 0.45
RPS6KB1 P23443 7/20 0.45
GSK3B P49841 7/20 0.45
RPS6KA3 P51812 7/20 0.45
PRKG1 Q13976 7/20 0.45
PKN2 Q16513 7/20 0.45
CDC42BPA Q5VT25 7/20 0.45
HIPK4 Q8NE63 7/20 0.45
AKT1 P31749 6/20 0.45
GSK3A P49840 6/20 0.45
CSNK1G3 Q9Y6M4 6/20 0.45
CHEK1 O14757 6/20 0.45
MKNK2 Q9HBH9 6/20 0.45
SGK2 Q9HBY8 6/20 0.45
CLK4 Q9HAZ1 5/20 0.45
ROCK2 O75116 5/20 0.45
PRKAA1 Q13131 5/20 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
SCHEMBL4925930 0.88 EGFR (0.44) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4924040 0.88 GSK3B (0.42) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4927504 0.84 GSK3B (0.43) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4925124 0.78 MAPKAPK2 (0.53) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4919796 0.77 GSK3B (0.48) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4917069 0.77 EGFR (0.50) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4596918 0.77 GSK3B (0.46) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4917135 0.76 CHEK2 (0.46) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4906887 0.76 MAPKAPK2 (0.54) ROCK1AURKBCHEK2PRKACARPS6KB1
SCHEMBL4916629 0.76 EGFR (0.49) ROCK1AURKBCHEK2PRKACARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US claimed

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-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors CHEK1, CHEK2, SIK1 ROCK1 470/4885AURKB 78/4885CHEK2 2/4885

“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.