SCHEMBL29908212

SCHEMBL29908212

CN(C)C(=O)COc1cc2c(cn1)CN(c1nccc(-c3nccc(C#Cc4ccc5c(cnn5C(=O)OC(C)(C)C)c4)n3)n1)C2

nearest known ligand 0.30

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.30
EEF2K O00418 1/20 0.30
MAP4K4 O95819 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3B P49841 1/20 0.30
PRKX P51817 1/20 0.30
NEK4 P51957 1/20 0.30
PRKG2 Q13237 1/20 0.30
ROCK1 Q13464 1/20 0.30
PKN2 Q16513 1/20 0.30
TAOK1 Q7L7X3 1/20 0.30
AURKB Q96GD4 1/20 0.30
PBK Q96KB5 1/20 0.30
SLK Q9H2G2 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
MAP3K20 Q9NYL2 1/20 0.30

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
SCHEMBL29908237 0.90 ROCK2 (0.32) ROCK2
SCHEMBL29627918 0.89
SCHEMBL29627919 0.84 ROCK2 (0.37) ROCK2EEF2KMAP4K4CLK2GSK3B
SCHEMBL29627966 0.83 EIF2AK4 (0.34) ROCK2
SCHEMBL29908228 0.82 LRRK2 (0.33) ROCK2
SCHEMBL29640848 0.82 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL26289777 0.79 ROCK2 (0.35) ROCK2EEF2KMAP4K4CLK2GSK3B
SCHEMBL25195353 0.77 ROCK2 (0.38) ROCK2EEF2KMAP4K4CLK2GSK3B
SCHEMBL29640830 0.77 ROCK2 (0.38) ROCK2EEF2KMAP4K4CLK2GSK3B
SCHEMBL29627860 0.77 ROCK2 (0.38) ROCK2EEF2KMAP4K4CLK2GSK3B

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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2022-09-08 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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885EEF2K 186/4885MAP4K4 354/4885

“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.