SCHEMBL29908258

SCHEMBL29908258

C(#Cc1ccnc(-c2ccnc(N3CCC(c4ccccc4)C3)n2)n1)c1ccc2[nH]ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.44
ACACB O00763 2/20 0.42
ROCK1 Q13464 5/20 0.42
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL29627883 0.95 ACACB (0.46) ROCK2ACACBROCK1GRIN1GRIN2B
SCHEMBL29627965 0.92 GRIN2B (0.41) ROCK2ACACBROCK1GRIN2BPDE10A
SCHEMBL29627884 0.89 ROCK2 (0.51) ROCK2ACACBROCK1PDE10A
SCHEMBL29627888 0.87 GRIN2B (0.42) ROCK2ACACBROCK1GRIN1GRIN2B
Trifluoroacetic Acid SCHEMBL29908226 0.87 ACACB (0.40) ROCK2ACACBROCK1GRIN1GRIN2B
SCHEMBL29627921 0.85 ROCK2 (0.38) ROCK2ROCK1PDE10A
SCHEMBL29908262 0.85 ROCK2 (0.39) ROCK2ROCK1GRIN1GRIN2B
SCHEMBL29627898 0.85 HAO1 (0.39) ROCK2ACACBROCK1GRIN1GRIN2B
SCHEMBL29627719 0.83 ROCK2 (0.53) ROCK2ROCK1GRIN1GRIN2B
SCHEMBL29640823 0.83 HAO1 (0.38) ROCK2ACACBROCK1GRIN1GRIN2B

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 1634/4885ROCK1 1/4885

“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.