SCHEMBL29627693

SCHEMBL29627693

Fc1n[nH]c2ccc(C#Cc3ccnc(-c4ccnc(N5Cc6ccc(C(F)(F)F)cc6C5)n4)n3)cc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 1/20 0.33
TTBK1 Q5TCY1 1/20 0.32
PIKFYVE Q9Y2I7 1/20 0.32
HTR1A P08908 5/20 0.32
NAMPT P43490 1/20 0.31
EIF2AK4 Q9P2K8 6/20 0.30
MAPK1 P28482 2/20 0.30
MAP2K4 P45985 2/20 0.30
MAPKAPK3 Q16644 2/20 0.30
MAPK6 Q16659 2/20 0.30
MAPKAPK2 P49137 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
SCHEMBL29627897 0.90 ROCK2 (0.42) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29640491 0.89 ROCK2 (0.37) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29640456 0.89 ROCK2 (0.41) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29640481 0.89 ROCK2 (0.45) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29627722 0.89 ROCK2 (0.34) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29627717 0.88 ROCK2 (0.34) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29627700 0.87 ROCK2 (0.34) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29627706 0.87 ROCK2 (0.34) ROCK2ROCK1TTBK1PIKFYVEHTR1A
SCHEMBL29627905 0.86 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL29627716 0.86 ROCK2 (0.46) 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 6 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
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP 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
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP 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 1/4885TTBK1 382/4885

“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.