SCHEMBL4906887

SCHEMBL4906887

O=c1c(NCc2cccc(O)c2)c(Nc2ccc(O)cc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.54
CHEK2 O96017 6/20 0.53
PRKACA P17612 6/20 0.53
RPS6KB1 P23443 6/20 0.53
GSK3B P49841 6/20 0.53
RPS6KA3 P51812 6/20 0.53
ROCK1 Q13464 6/20 0.53
PRKG1 Q13976 6/20 0.53
PKN2 Q16513 6/20 0.53
CDC42BPA Q5VT25 6/20 0.53
HIPK4 Q8NE63 6/20 0.53
AURKB Q96GD4 6/20 0.53
AKT1 P31749 5/20 0.53
GSK3A P49840 5/20 0.53
CSNK1G3 Q9Y6M4 5/20 0.53
CHEK1 O14757 5/20 0.53
CLK4 Q9HAZ1 5/20 0.53
MKNK2 Q9HBH9 5/20 0.53
SGK2 Q9HBY8 5/20 0.53
ROCK2 O75116 4/20 0.53

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
SCHEMBL4909142 0.89 CHEK2 (0.50) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4911196 0.86 MEN1 (0.55) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4909188 0.85 CA2 (0.50) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4919796 0.84 GSK3B (0.48) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4917069 0.84 EGFR (0.50) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4911057 0.83 CHEK2 (0.50) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4898803 0.83 ROCK2 (0.50) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4916629 0.83 EGFR (0.49) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4916045 0.82 EGFR (0.57) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B
SCHEMBL4917914 0.82 EGFR (0.46) MAPKAPK2CHEK2PRKACARPS6KB1GSK3B

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
US-20080262096-A1 Squaric Acid Derivatives MERCK PATENT GMBH (DE) 2008-10-23 US claimed
EP-1838662-A1 SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2007-10-03 EP claimed
WO-2006072354-A1 SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2006-07-13 WO claimed
US-20080262096-A1 Squaric Acid Derivatives MERCK PATENT GMBH (DE) 2008-10-23 US disclosed
EP-1838662-A1 SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2007-10-03 EP disclosed
WO-2006072354-A1 SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2006-07-13 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-20080262096-A1 Squaric Acid Derivatives GLS, SGK1, PFKL MAPKAPK2 1309/4885CHEK2 1560/4885PRKACA 4343/4885

“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.