SCHEMBL30189422

SCHEMBL30189422

Brc1ccc2c(c1)CN(c1nccc(-c3nccc(/C=C/c4ccncc4)n3)n1)C2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
SCN9A Q15858 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
SCHEMBL22229640 1.00 ROCK2 (0.35) ROCK2CYP19A1CYP11B1CYP11B2SCN9A
SCHEMBL22229617 0.89 GRM4 (0.31) SCN9A
SCHEMBL30189449 0.89 GRM4 (0.31) SCN9A
SCHEMBL22229645 0.88 ROCK2 (0.35) ROCK2
SCHEMBL22229646 0.88 ROCK2 (0.39) ROCK2CYP19A1CYP11B1CYP11B2
SCHEMBL22229559 0.88 ROCK2 (0.37) ROCK2CYP19A1CYP11B2
SCHEMBL22229600 0.88 ROCK2 (0.39) ROCK2CYP19A1CYP11B1CYP11B2
SCHEMBL22229598 0.88 ROCK2 (0.35) ROCK2
SCHEMBL20769748 0.88 ROCK2 (0.35) ROCK2CYP19A1
SCHEMBL30189562 0.88 ROCK2 (0.37) ROCK2CYP19A1CYP11B2

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 1 patent. 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 claimed

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-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 ROCK2 2/4885CYP19A1 2057/4885CYP11B1 245/4885

“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.