SCHEMBL30189442

SCHEMBL30189442

COc1ccc2c(c1)CN(c1nccc(-c3nccc(/C=C/c4ccncc4)n3)n1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.52
ROCK1 Q13464 5/20 0.44
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 8/20 0.37
CYP11B2 P19099 5/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTRK3 Q16288 1/20 0.36

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
SCHEMBL22229560 1.00 ROCK2 (0.52) ROCK2ROCK1CYP1A2CYP1A1CYP1B1
SCHEMBL30189509 0.91 ROCK2 (0.42) ROCK2ROCK1CYP1A2CYP1A1CYP1B1
SCHEMBL22229632 0.91 ROCK2 (0.42) ROCK2ROCK1CYP1A2CYP1A1CYP1B1
SCHEMBL22229650 0.90 ROCK2 (0.43) ROCK2ROCK1DYRK1A
SCHEMBL30189463 0.90 ROCK2 (0.43) ROCK2ROCK1DYRK1A
SCHEMBL22229642 0.90 ROCK2 (0.41) ROCK2ROCK1CYP1A2CYP1A1CYP1B1
SCHEMBL30189468 0.90 ROCK2 (0.41) ROCK2ROCK1CYP1A2CYP1A1CYP1B1
SCHEMBL22229639 0.88 ROCK2 (0.39) ROCK2ROCK1MAP4K4PRKACADYRK1A
SCHEMBL30189454 0.88 ROCK2 (0.39) ROCK2ROCK1MAP4K4PRKACADYRK1A
SCHEMBL22229637 0.87 ROCK2 (0.46) ROCK2ROCK1KDM4EDYRK1A

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 2/4885ROCK1 1/4885CYP1A2 770/4885

“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.