SCHEMBL29640848

SCHEMBL29640848

CN(C)C(=O)COc1cc2c(cn1)CN(c1nccc(-c3nccc(C#Cc4ccc5[nH]ncc5c4)n3)n1)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.38
ROCK1 Q13464 6/20 0.37
HAO1 Q9UJM8 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ACACB O00763 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29640766 0.91 ROCK2 (0.44) ROCK2ROCK1HAO1TMEM97
SCHEMBL29627708 0.87 ROCK2 (0.44) ROCK2ROCK1TMEM97
SCHEMBL29908196 0.87 ROCK2 (0.42) ROCK2ROCK1TMEM97
SCHEMBL29627740 0.83 ROCK2 (0.44) ROCK2ROCK1HAO1TMEM97
SCHEMBL29908212 0.82 ROCK2 (0.30) ROCK2ROCK1
SCHEMBL29627734 0.82 ROCK2 (0.44) ROCK2ROCK1TMEM97
SCHEMBL29908209 0.81 ROCK2 (0.43) ROCK2ROCK1HAO1TMEM97
SCHEMBL29640775 0.81 ROCK2 (0.48) ROCK2ROCK1MEN1KMT2A
SCHEMBL29627719 0.80 ROCK2 (0.53) ROCK2ROCK1TMEM97
SCHEMBL29627828 0.80 ROCK2 (0.58) ROCK2ROCK1

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
CN-114502163-A Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors 安吉昂生物医药公司 2022-05-13 CN 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 2/4885ROCK1 1/4885HAO1 4016/4885

“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.