SCHEMBL29908237

SCHEMBL29908237

COCCOc1cc2c(cn1)CN(c1nccc(-c3nccc(C#Cc4ccc5c(cnn5C(=O)OC(C)(C)C)c4)n3)n1)C2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
ACACB O00763 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
SCHEMBL29908212 0.90 ROCK2 (0.30) ROCK2
SCHEMBL29908228 0.87 LRRK2 (0.33) ROCK2ACACB
SCHEMBL29627966 0.84 EIF2AK4 (0.34) ROCK2ACACB
SCHEMBL29627919 0.83 ROCK2 (0.37) ROCK2
SCHEMBL29627918 0.81
SCHEMBL29908196 0.79 ROCK2 (0.42) ROCK2
SCHEMBL26290157 0.79 ROCK2 (0.36) ROCK2ACACB
SCHEMBL25195353 0.78 ROCK2 (0.38) ROCK2
SCHEMBL29640830 0.78 ROCK2 (0.38) ROCK2
SCHEMBL29627860 0.78 ROCK2 (0.38) ROCK2

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 2/4885ACACB 1634/4885

“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.