SCHEMBL4598446

SCHEMBL4598446

Cc1c(O)cccc1CNc1c(Nc2ccc3[nH]cnc3c2)c(=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.40
PRKACA P17612 6/20 0.40
RPS6KA3 P51812 6/20 0.40
CDC42BPA Q5VT25 6/20 0.40
AURKB Q96GD4 6/20 0.40
GSK3B P49841 6/20 0.40
CHEK2 O96017 5/20 0.40
PRKG1 Q13976 5/20 0.40
RPS6KB1 P23443 5/20 0.40
ROCK2 O75116 4/20 0.40
PRKCD Q05655 4/20 0.40
PKN2 Q16513 4/20 0.40
HIPK4 Q8NE63 4/20 0.40
PRKAA1 Q13131 3/20 0.40
AKT1 P31749 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
CHEK1 O14757 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
SGK2 Q9HBY8 3/20 0.40
JAK2 O60674 2/20 0.40

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
SCHEMBL4898762 0.90 ROCK1 (0.41) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4902107 0.88 ROCK1 (0.41) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4898774 0.88 ROCK1 (0.43) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4910914 0.83 ROCK1 (0.39) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4905133 0.82 PAK4 (0.38) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4905587 0.81 ROCK1 (0.48) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4908325 0.81 ROCK1 (0.48) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4902932 0.81 CA12 (0.42) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4598807 0.81 QPCT (0.50) ROCK1PRKACARPS6KA3CDC42BPAAURKB
SCHEMBL4598966 0.80 CDK1 (0.42) ROCK1PRKACARPS6KA3CDC42BPAAURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US claimed
EP-1910312-A1 QUADRATIC ACID II DERIVATIVES Merck Patent GmbH (DE) 2008-04-16 EP claimed
WO-2007014608-A1 QUADRATIC ACID II DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-08 WO 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-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 ROCK1 713/4885PRKACA 1183/4885RPS6KA3 125/4885

“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.