SCHEMBL4906437

SCHEMBL4906437

Cc1cc(Nc2c(NCc3cccc(O)c3)c(=O)c2=O)cc2nc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.43
AURKB Q96GD4 7/20 0.43
CHEK2 O96017 6/20 0.43
PRKACA P17612 6/20 0.43
GSK3B P49841 6/20 0.43
RPS6KA3 P51812 6/20 0.43
ROCK1 Q13464 6/20 0.43
PRKG1 Q13976 6/20 0.43
PKN2 Q16513 6/20 0.43
CDC42BPA Q5VT25 6/20 0.43
HIPK4 Q8NE63 6/20 0.43
AKT1 P31749 5/20 0.43
GSK3A P49840 5/20 0.43
CSNK1G3 Q9Y6M4 5/20 0.43
ROCK2 O75116 4/20 0.43
NEK4 P51957 4/20 0.43
MATK P42679 1/20 0.43
CHEK1 O14757 5/20 0.41
CLK4 Q9HAZ1 5/20 0.41
MKNK2 Q9HBH9 5/20 0.41

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
SCHEMBL4908175 0.88 RPS6KB1 (0.43) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL4598328 0.84 GSK3B (0.43) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL4905587 0.82 ROCK1 (0.48) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL1229918 0.82 ROCK1 (0.55) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL4911057 0.81 CHEK2 (0.50) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL1228940 0.80 RPS6KB1 (0.44) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL4596911 0.80 NAMPT (0.47) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL4905562 0.80 KDR (0.44) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL4917069 0.77 EGFR (0.50) RPS6KB1AURKBCHEK2PRKACAGSK3B
SCHEMBL4898767 0.76 RPS6KB1 (0.40) RPS6KB1AURKBCHEK2PRKACAGSK3B

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-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 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-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 RPS6KB1 304/4885AURKB 67/4885CHEK2 1/4885

“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.