SCHEMBL20769697

SCHEMBL20769697

COc1ccc2c(c1)CN(c1nccc(C#N)n1)C2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.55
ROCK1 Q13464 5/20 0.51
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
PTBP1 P26599 1/20 0.44
NQO1 P15559 1/20 0.43
TIPARP Q7Z3E1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
UBE2N P61088 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 1/20 0.40
CTSS P25774 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29640845 1.00 ROCK2 (0.55) ROCK2ROCK1KDM4EHPGDPTBP1
SCHEMBL14816898 0.87 ROCK2 (0.42) ROCK2ROCK1KDM4EHPGDPTBP1
SCHEMBL29674712 0.83 ROCK2 (0.58) ROCK2ROCK1KDM4ETIPARPALDH1A1
SCHEMBL29908218 0.82 ROCK2 (0.39) ROCK2ROCK1KDM4EHPGDPTBP1
SCHEMBL16637499 0.82 ROCK2 (0.57) ROCK2ROCK1KDM4ETIPARPALDH1A1
SCHEMBL29628003 0.82 HTR1A (0.48) ROCK2ROCK1CTSS
SCHEMBL29640451 0.81 ROCK2 (0.44) ROCK2ROCK1KDM4EHPGDPTBP1
SCHEMBL29627867 0.81 CTSS (0.44) ROCK2KDM4EHPGDALDH1A1POLB
SCHEMBL20769723 0.78 ROCK2 (0.56) ROCK2ROCK1TIPARP
SCHEMBL20770054 0.77 ROCK2 (0.53) ROCK2ROCK1TIPARP

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ANGION BIOMEDICA CORP. (US) 2023-01-03 US disclosed
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ANGION BIOMEDICA CORP. (US) 2023-01-03 US disclosed
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
WO-2021016256-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. (US) 2021-01-28 WO disclosed
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 US disclosed
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 US disclosed
EP-3676262-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2020-07-08 EP disclosed
WO-2019046795-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. (US) 2019-03-07 WO 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 (3 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 1/4885KDM4E 2774/4885
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885KDM4E 2076/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885KDM4E 2076/4885

“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.