SCHEMBL4627726

SCHEMBL4627726

O=c1c(NCc2cccc(F)c2F)c(Nc2ccc3[nH][nH]c(=O)c3c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.46
PRKACA P17612 5/20 0.46
RPS6KA3 P51812 5/20 0.46
PRKAA1 Q13131 5/20 0.46
AURKB Q96GD4 5/20 0.46
GSK3A P49840 5/20 0.46
GSK3B P49841 5/20 0.46
CHEK2 O96017 4/20 0.46
CDC42BPA Q5VT25 4/20 0.46
PRKG1 Q13976 4/20 0.46
RPS6KB1 P23443 4/20 0.46
CHEK1 O14757 4/20 0.46
DAPK3 O43293 4/20 0.46
PRKCD Q05655 3/20 0.46
AKT1 P31749 3/20 0.46
AKT2 P31751 3/20 0.46
PKN2 Q16513 3/20 0.46
HIPK4 Q8NE63 3/20 0.46
MKNK2 Q9HBH9 3/20 0.46
SGK2 Q9HBY8 3/20 0.46

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
SCHEMBL4912602 0.81 PIK3CD (0.49) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL14066911 0.79 PIK3CD (0.57) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL4903209 0.78 ROCK2 (0.48) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL4629366 0.77 PIK3CD (0.46) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL1230005 0.75 CDK7 (0.47) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL4629359 0.73 AURKB (0.67) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL4912933 0.73 CLK4 (0.48) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL1229663 0.72 JAK2 (0.49) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL14066916 0.69 GSK3A (0.44) ROCK1PRKACARPS6KA3PRKAA1AURKB
SCHEMBL4629381 0.69 MAPKAPK2 (0.51) ROCK1AURKBGSK3AGSK3BCHEK2

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 4 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
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 ROCK1 944/4885PRKACA 1549/4885RPS6KA3 315/4885

“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.