SCHEMBL4916629

SCHEMBL4916629

CCc1cc(Nc2c(NCc3cccc(O)c3)c(=O)c2=O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
RPS6KB1 P23443 6/20 0.45
AURKB Q96GD4 6/20 0.45
GSK3B P49841 6/20 0.45
ROCK1 Q13464 6/20 0.45
PRKG1 Q13976 6/20 0.45
CHEK2 O96017 5/20 0.45
PRKACA P17612 5/20 0.45
RPS6KA3 P51812 5/20 0.45
PKN2 Q16513 5/20 0.45
CDC42BPA Q5VT25 5/20 0.45
HIPK4 Q8NE63 5/20 0.45
ROCK2 O75116 5/20 0.45
CLK4 Q9HAZ1 5/20 0.45
AKT1 P31749 4/20 0.45
CHEK1 O14757 4/20 0.45
MKNK2 Q9HBH9 4/20 0.45
SGK2 Q9HBY8 4/20 0.45
AKT2 P31751 3/20 0.45
CLK2 P49760 3/20 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
SCHEMBL4909120 0.92 EGFR (0.46) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4917000 0.88 MEN1 (0.52) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4917069 0.86 EGFR (0.50) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4919796 0.84 GSK3B (0.48) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4905924 0.84 EGFR (0.57) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4909304 0.83 EGFR (0.47) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4906887 0.83 MAPKAPK2 (0.54) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4911197 0.83 EGFR (0.45) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4916045 0.82 EGFR (0.57) EGFRRPS6KB1AURKBGSK3BROCK1
SCHEMBL4917914 0.82 EGFR (0.46) EGFRRPS6KB1AURKBGSK3BROCK1

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 EGFR 2751/4885RPS6KB1 254/4885AURKB 1018/4885

“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.