SCHEMBL4912933

SCHEMBL4912933

CS(=O)(=O)Nc1cccc(CNc2c(Nc3ccc4[nH][nH]c(=O)c4c3)c(=O)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.48
MAPK1 P28482 6/20 0.48
ROCK1 Q13464 5/20 0.48
ROCK2 O75116 4/20 0.48
GSK3B P49841 4/20 0.48
PRKG1 Q13976 4/20 0.48
RPS6KB1 P23443 4/20 0.48
CHEK1 O14757 3/20 0.48
CHEK2 O96017 3/20 0.48
PRKACA P17612 3/20 0.48
AKT1 P31749 3/20 0.48
RPS6KA3 P51812 3/20 0.48
PKN2 Q16513 3/20 0.48
CDC42BPA Q5VT25 3/20 0.48
HIPK4 Q8NE63 3/20 0.48
AURKB Q96GD4 3/20 0.48
PRKD3 O94806 2/20 0.48
DAPK3 O43293 2/20 0.48
AKT2 P31751 2/20 0.48
CLK2 P49760 2/20 0.48

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
SCHEMBL4629359 0.84 AURKB (0.67) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL4903209 0.83 ROCK2 (0.48) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL14066911 0.83 PIK3CD (0.57) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL4629366 0.82 PIK3CD (0.46) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL4912602 0.82 PIK3CD (0.49) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL4908603 0.80 MAPK1 (0.49) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL4598175 0.78 MAPK1 (0.47) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL1228393 0.77 CDK2 (0.50) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL1228385 0.75 CDK2 (0.47) CLK4MAPK1ROCK1ROCK2GSK3B
SCHEMBL4627726 0.73 ROCK1 (0.46) CLK4MAPK1ROCK1ROCK2GSK3B

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-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US claimed
US-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 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-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives CHEK2, CHEK1, SGK2 CLK4 178/4885MAPK1 563/4885ROCK1 944/4885

“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.