SCHEMBL29627741

SCHEMBL29627741

CN1CCN(c2ccc3c(c2)CN(c2nccc(-c4cccc(C#Cc5ccc6[nH]ncc6c5)n4)n2)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.45
ROCK1 Q13464 7/20 0.41
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL29627923 0.91 ROCK2 (0.45) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL29627724 0.86 ROCK2 (0.56) ROCK2ROCK1TMEM97
SCHEMBL29627702 0.85 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL29627749 0.84 ROCK2 (0.46) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL29627902 0.81 ROCK2 (0.46) ROCK2ROCK1TMEM97
SCHEMBL29627975 0.78 ROCK2 (0.41) ROCK2ROCK1TMEM97
SCHEMBL29627719 0.78 ROCK2 (0.53) ROCK2ROCK1TMEM97
SCHEMBL29640822 0.76 MAP4K1 (0.38) KDRTMEM97EGFR
SCHEMBL29627761 0.76 ROCK2 (0.56) ROCK2ROCK1TMEM97
SCHEMBL29627940 0.76 ROCK2 (0.48) ROCK2ROCK1TMEM97

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 1/4885CHEK1 951/4885

“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.