SCHEMBL4629366

SCHEMBL4629366

O=c1c(NCc2cccc(Cl)c2)c(Nc2ccc3[nH][nH]c(=O)c3c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
ROCK1 Q13464 6/20 0.45
CHEK2 O96017 5/20 0.45
PRKACA P17612 5/20 0.45
RPS6KA3 P51812 5/20 0.45
PRKAA1 Q13131 5/20 0.45
CDC42BPA Q5VT25 5/20 0.45
AURKB Q96GD4 5/20 0.45
ROCK2 O75116 5/20 0.45
GSK3B P49841 5/20 0.45
PRKG1 Q13976 5/20 0.45
CLK4 Q9HAZ1 5/20 0.45
RPS6KB1 P23443 5/20 0.45
PRKCD Q05655 4/20 0.45
CHEK1 O14757 4/20 0.45
AKT1 P31749 4/20 0.45
PRKG2 Q13237 4/20 0.45
PKN2 Q16513 4/20 0.45
HIPK4 Q8NE63 4/20 0.45
MKNK2 Q9HBH9 4/20 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
SCHEMBL4903209 0.88 ROCK2 (0.48) PIK3CDROCK1CHEK2PRKACARPS6KA3
SCHEMBL14066911 0.87 PIK3CD (0.57) PIK3CDROCK1CHEK2PRKACARPS6KA3
SCHEMBL4912602 0.87 PIK3CD (0.49) PIK3CDROCK1CHEK2PRKACARPS6KA3
SCHEMBL1228234 0.83 JAK2 (0.52) ROCK1CHEK2PRKACARPS6KA3PRKAA1
SCHEMBL4912933 0.82 CLK4 (0.48) PIK3CDROCK1CHEK2PRKACARPS6KA3
SCHEMBL4629359 0.82 AURKB (0.67) PIK3CDROCK1CHEK2PRKACARPS6KA3
SCHEMBL4905492 0.78 ROCK1 (0.46) ROCK1CHEK2PRKACARPS6KA3PRKAA1
SCHEMBL1229136 0.78 ROCK2 (0.71) ROCK1CHEK2PRKACARPS6KA3PRKAA1
SCHEMBL4909142 0.77 CHEK2 (0.50) ROCK1CHEK2PRKACARPS6KA3PRKAA1
SCHEMBL4627726 0.77 ROCK1 (0.46) PIK3CDROCK1CHEK2PRKACARPS6KA3

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-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US claimed
EP-1917249-A1 3-OXO-INDAZOLE-SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2008-05-07 EP claimed
WO-2007022858-A1 3-OXO-INDAZOLE-SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2007-03-01 WO claimed
US-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US disclosed
EP-1917249-A1 3-OXO-INDAZOLE-SQUARIC ACID DERIVATIVES Merck Patent GmbH (DE) 2008-05-07 EP disclosed
WO-2007022858-A1 3-OXO-INDAZOLE-SQUARIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2007-03-01 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-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives CHEK2, CHEK1, SGK2 PIK3CD 789/4885ROCK1 944/4885CHEK2 1/4885

“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.