SCHEMBL17302779

SCHEMBL17302779

CC(C)(C)OC(=O)B1CCC(NC(=O)COc2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.64
▸ ROCK1 Q13464 12/20 0.64
▸ CLK2 P49760 1/20 0.64
▸ BLK P51451 1/20 0.64
▸ CSNK2A1 P68400 1/20 0.64
▸ STK3 Q13188 1/20 0.64
▸ DYRK1A Q13627 1/20 0.64
▸ AURKB Q96GD4 1/20 0.64
▸ CLK4 Q9HAZ1 1/20 0.64
▸ STK17A Q9UEE5 1/20 0.64
▸ PRKD3 O94806 1/20 0.49
▸ MET P08581 1/20 0.49

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
SCHEMBL877535 0.85 ROCK2 (0.77) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL1728904 0.85 ROCK2 (0.64) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL1728902 0.85 ROCK2 (0.64) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3793015 0.85 ROCK2 (0.64) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL877970 0.85 ROCK2 (0.76) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL3790618 0.84 ROCK2 (0.72) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL877958 0.83 ROCK2 (0.73) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL1724078 0.83 ROCK2 (0.72) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL1724986 0.83 ROCK2 (0.72) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL1724076 0.83 ROCK2 (0.72) ROCK2ROCK1CLK2BLKCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 — — 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-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885

“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.

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