SCHEMBL29627883

SCHEMBL29627883

C(#Cc1ccnc(-c2ccnc(N3CCC(c4ccccc4)CC3)n2)n1)c1ccc2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
ROCK2 O75116 12/20 0.40
ROCK1 Q13464 4/20 0.40
PDE10A Q9Y233 1/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL29908258 0.95 ROCK2 (0.44) ACACBGRIN1GRIN2BROCK2ROCK1
SCHEMBL29627888 0.92 GRIN2B (0.42) ACACBGRIN1GRIN2BROCK2ROCK1
SCHEMBL29908262 0.88 ROCK2 (0.39) GRIN1GRIN2BROCK2ROCK1PIK3CA
SCHEMBL29627965 0.87 GRIN2B (0.41) ACACBGRIN2BROCK2ROCK1PDE10A
Trifluoroacetic Acid SCHEMBL29908226 0.85 ACACB (0.40) ACACBGRIN1GRIN2BROCK2ROCK1
SCHEMBL29627884 0.85 ROCK2 (0.51) ACACBROCK2ROCK1PDE10APIK3CA
SCHEMBL29627719 0.84 ROCK2 (0.53) GRIN1GRIN2BROCK2ROCK1
SCHEMBL29640905 0.83 GAA (0.41) GRIN1GRIN2BROCK2ROCK1PIK3CA
SCHEMBL29627921 0.83 ROCK2 (0.38) ROCK2ROCK1PDE10A
SCHEMBL29627898 0.83 HAO1 (0.39) ACACBGRIN1GRIN2BROCK2ROCK1

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 2 patents. 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
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP 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 ACACB 1634/4885GRIN1 4062/4885GRIN2B 4154/4885

“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.