SCHEMBL4930944

SCHEMBL4930944

O=c1c(NCc2cc(O)cc(O)c2)c(Nc2ccc(O)c(-c3ccccn3)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.44
KDM1A O60341 3/20 0.41
KDM4C Q9H3R0 4/20 0.39
CHEK2 O96017 7/20 0.38
PRKACA P17612 7/20 0.38
RPS6KB1 P23443 7/20 0.38
GSK3B P49841 7/20 0.38
RPS6KA3 P51812 7/20 0.38
ROCK1 Q13464 7/20 0.38
PRKG1 Q13976 7/20 0.38
PKN2 Q16513 7/20 0.38
CDC42BPA Q5VT25 7/20 0.38
HIPK4 Q8NE63 7/20 0.38
AURKB Q96GD4 7/20 0.38
GSK3A P49840 6/20 0.38
CSNK1G3 Q9Y6M4 6/20 0.38
AKT1 P31749 6/20 0.38
CHEK1 O14757 6/20 0.38
MKNK2 Q9HBH9 6/20 0.38
SGK2 Q9HBY8 6/20 0.38

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
SCHEMBL4598269 0.93 KDM1A (0.46) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4930829 0.89 MAPKAPK2 (0.44) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4930859 0.86 MAPKAPK2 (0.41) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4924199 0.86 KDM1A (0.47) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4924219 0.85 KDM1A (0.44) MAPKAPK2KDM1AKDM4CFLT4THRA
SCHEMBL13991825 0.84 MAPKAPK2 (0.42) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4920334 0.84 MAPKAPK2 (0.42) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4928235 0.83 KDM4C (0.49) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4598326 0.83 MAPKAPK2 (0.41) MAPKAPK2KDM1AKDM4CCHEK2PRKACA
SCHEMBL4928614 0.83 AURKB (0.57) MAPKAPK2KDM4CCHEK2PRKACARPS6KB1

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 MAPKAPK2 377/4885KDM1A 1319/4885KDM4C 2768/4885

“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.