SCHEMBL4599292

SCHEMBL4599292

O=c1c(NCc2cccc(O)c2)c(Nc2ccc(O)c(-c3ccccc3)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
EGFR P00533 1/20 0.45
PPARG P37231 1/20 0.44
ROCK2 O75116 4/20 0.42
CHEK2 O96017 4/20 0.42
PRKACA P17612 4/20 0.42
RPS6KB1 P23443 4/20 0.42
AKT1 P31749 4/20 0.42
GSK3B P49841 4/20 0.42
RPS6KA3 P51812 4/20 0.42
ROCK1 Q13464 4/20 0.42
PRKG1 Q13976 4/20 0.42
PKN2 Q16513 4/20 0.42
CDC42BPA Q5VT25 4/20 0.42
HIPK4 Q8NE63 4/20 0.42
AURKB Q96GD4 4/20 0.42
CHEK1 O14757 3/20 0.42
AKT2 P31751 3/20 0.42
CLK2 P49760 3/20 0.42

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
SCHEMBL4925124 0.90 MAPKAPK2 (0.53) HIF1AMAPKAPK2EGFRPPARGROCK2
SCHEMBL4917135 0.88 CHEK2 (0.46) HIF1AMAPKAPK2EGFRROCK2CHEK2
SCHEMBL4920649 0.88 MAPKAPK2 (0.44) HIF1AMAPKAPK2EGFRPPARGROCK2
SCHEMBL4596918 0.84 GSK3B (0.46) HIF1AMAPKAPK2EGFRPPARGROCK2
SCHEMBL4598269 0.84 KDM1A (0.46) HIF1AMAPKAPK2EGFRPPARGROCK2
SCHEMBL4916045 0.82 EGFR (0.57) HIF1AMAPKAPK2EGFRPPARGROCK2
SCHEMBL4919796 0.82 GSK3B (0.48) HIF1AMAPKAPK2EGFRROCK2CHEK2
SCHEMBL4917069 0.82 EGFR (0.50) HIF1AMAPKAPK2EGFRROCK2CHEK2
SCHEMBL4920693 0.81 RPS6KB1 (0.41) HIF1AMAPKAPK2EGFRPPARGROCK2
SCHEMBL4906887 0.81 MAPKAPK2 (0.54) HIF1AMAPKAPK2EGFRROCK2CHEK2

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 3 patents. 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
EP-1910277-A1 QUADRATIC ACID DERIVATIVES IN THE FORM OF A PROTEIN KINASE INHIBITORS Merck Patent GmbH (DE) 2008-04-16 EP claimed
WO-2007014607-A1 QUADRATIC ACID DERIVATIVES IN THE FORM OF A PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2007-02-08 WO 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 HIF1A 1888/4885MAPKAPK2 377/4885EGFR 1602/4885

“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.