SCHEMBL22229559

SCHEMBL22229559

Cc1ccc2c(c1)CN(c1nccc(-c3nccc(/C=C/c4ccncc4)n3)n1)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
GRM4 Q14833 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B2 P19099 2/20 0.33
ROCK1 Q13464 1/20 0.31
SNCA P37840 1/20 0.31
PFKFB3 Q16875 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL30189562 1.00 ROCK2 (0.37) ROCK2GRM4CYP19A1CYP11B2ROCK1
SCHEMBL30189422 0.88 ROCK2 (0.35) ROCK2CYP19A1CYP11B2
SCHEMBL22229645 0.88 ROCK2 (0.35) ROCK2
SCHEMBL30189539 0.88 ROCK2 (0.35) ROCK2
SCHEMBL22229646 0.88 ROCK2 (0.39) ROCK2CYP19A1CYP11B2SNCA
SCHEMBL22229600 0.88 ROCK2 (0.39) ROCK2GRM4CYP19A1CYP11B2ROCK1
SCHEMBL20769748 0.88 ROCK2 (0.35) ROCK2CYP19A1PFKFB3
SCHEMBL22229598 0.88 ROCK2 (0.35) ROCK2GRM4GRIN2DGRIN3BGRIN1
SCHEMBL22229640 0.88 ROCK2 (0.35) ROCK2CYP19A1CYP11B2
SCHEMBL30189598 0.88 ROCK2 (0.39) ROCK2CYP19A1CYP11B2SNCA

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-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 US claimed
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

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 2/4885GRM4 4738/4885CYP19A1 2057/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 ROCK2 2/4885GRM4 4738/4885CYP19A1 2057/4885

“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.