SCHEMBL29640481

SCHEMBL29640481

N#Cc1ccc2c(c1)CN(c1nccc(-c3nccc(C#Cc4ccc5[nH]nc(F)c5c4)n3)n1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
HTR1A P08908 8/20 0.41
LRRK2 Q5S007 5/20 0.36
ROCK1 Q13464 1/20 0.34
ITK Q08881 1/20 0.32
MAP3K14 Q99558 1/20 0.32
TTBK1 Q5TCY1 1/20 0.31
PIKFYVE Q9Y2I7 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
SCHEMBL29627897 0.92 ROCK2 (0.42) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29640491 0.91 ROCK2 (0.37) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29640456 0.90 ROCK2 (0.41) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29627722 0.90 ROCK2 (0.34) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29627700 0.89 ROCK2 (0.34) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29627693 0.89 ROCK2 (0.34) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29627706 0.89 ROCK2 (0.34) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29627905 0.88 ROCK2 (0.43) ROCK2LRRK2ROCK1
SCHEMBL29627717 0.86 ROCK2 (0.34) ROCK2HTR1AROCK1TTBK1PIKFYVE
SCHEMBL29627953 0.86 ROCK2 (0.34) ROCK2HTR1ALRRK2ROCK1

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 4 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 claimed
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 claimed
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 2/4885HTR1A 2175/4885LRRK2 735/4885

“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.