SCHEMBL22967059

SCHEMBL22967059

CC(C)NC(=O)COc1ccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)[nH]2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 15/20 0.39
▸ ROCK2 O75116 6/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ STK3 Q13188 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36

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
SCHEMBL22966752 0.90 ROCK1 (0.42) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL22966750 0.82 ROCK1 (0.54) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL21217775 0.82 ROCK1 (0.36) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL24094125 0.75 RAF1 (0.43) ROCK1ROCK2
SCHEMBL21217759 0.74 ROCK2 (0.42) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL22966914 0.72 ROCK1 (0.52) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL21217821 0.72 ROCK1 (0.60) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL21217920 0.71 ROCK2 (0.43) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL24934071 0.71 ACHE (0.41) ROCK1ROCK2DYRK1ACLK2BLK
SCHEMBL30163118 0.71 ACHE (0.41) ROCK1ROCK2DYRK1ACLK2BLK

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-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ROCK1 2/4885ROCK2 1/4885DYRK1A 816/4885

“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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