SCHEMBL20769749

SCHEMBL20769749

COc1ccc2c(c1)CN(c1nccc(-c3nccc(C)n3)n1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.52
ROCK1 Q13464 5/20 0.50
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
TIPARP Q7Z3E1 2/20 0.41
PDE10A Q9Y233 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2A7 P20853 1/20 0.37
CYP3A7 P24462 1/20 0.37
CYP2F1 P24903 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
SCHEMBL29674712 0.89 ROCK2 (0.58) ROCK2ROCK1HCRTR1HCRTR2TIPARP
SCHEMBL29627895 0.87 ROCK2 (0.51) ROCK2ROCK1HCRTR1HCRTR2TIPARP
SCHEMBL29627938 0.87 ROCK2 (0.51) ROCK2ROCK1HCRTR1HCRTR2TIPARP
SCHEMBL22229637 0.81 ROCK2 (0.46) ROCK2ROCK1TIPARPPDE10AKDM4E
SCHEMBL30189500 0.81 ROCK2 (0.46) ROCK2ROCK1TIPARPPDE10AKDM4E
SCHEMBL22229560 0.80 ROCK2 (0.52) ROCK2ROCK1CYP1A1CYP1A2CYP3A4
SCHEMBL29627935 0.80 ROCK2 (0.52) ROCK2ROCK1HCRTR1HCRTR2TIPARP
SCHEMBL30189442 0.80 ROCK2 (0.52) ROCK2ROCK1CYP1A1CYP1A2CYP3A4
SCHEMBL22229623 0.80 ROCK2 (0.45) ROCK2ROCK1HCRTR1HCRTR2TIPARP
SCHEMBL29640451 0.79 ROCK2 (0.44) ROCK2ROCK1KDM4EALDH1A1

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-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-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 (2 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-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885HCRTR1 2174/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885HCRTR1 2174/4885

“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.