SCHEMBL4915136

SCHEMBL4915136

C[C@H](Nc1c(Nc2ccc(O)c(-c3ncccn3)c2)c(=O)c1=O)c1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 19/20 0.65
MAPK14 Q16539 1/20 0.48
AURKB Q96GD4 4/20 0.47
ROCK1 Q13464 3/20 0.47
PDGFRA P16234 3/20 0.47
MAPK1 P28482 3/20 0.47
CSNK1G1 Q9HCP0 3/20 0.47
CYP2C9 P11712 2/20 0.47
RPS6KA1 Q15418 2/20 0.47
DCLK1 O15075 1/20 0.47
ROCK2 O75116 1/20 0.47
CHEK2 O96017 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
PRKX P51817 1/20 0.47
NEK4 P51957 1/20 0.47
PLK1 P53350 1/20 0.47
CSNK1G2 P78368 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47

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
SCHEMBL4598348 1.00 MAPKAPK2 (0.65) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4596974 0.89 MAPKAPK2 (0.62) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4597283 0.89 MAPKAPK2 (0.62) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4915244 0.86 MAPKAPK2 (0.74) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4920261 0.86 MAPKAPK2 (0.74) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4915759 0.85 MAPKAPK2 (0.66) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4919449 0.85 MAPKAPK2 (0.66) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4916946 0.85 MAPKAPK2 (0.62) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4924211 0.85 MAPKAPK2 (0.62) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL4927512 0.85 MAPKAPK2 (0.65) MAPKAPK2MAPK14AURKBROCK1PDGFRA

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 2 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
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US 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-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors CHEK1, CHEK2, SIK1 MAPKAPK2 377/4885MAPK14 1114/4885AURKB 78/4885

“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.