SCHEMBL30189463

SCHEMBL30189463

COc1ccc2c(c1)CN(c1nccc(-c3nccc(/C=C/c4ccnc(N)c4)n3)n1)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.43
ROCK1 Q13464 5/20 0.42
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
DYRK1A Q13627 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TIPARP Q7Z3E1 2/20 0.32
DHFR P00374 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL22229650 1.00 ROCK2 (0.43) ROCK2ROCK1NOS3NOS1NOS2
SCHEMBL28451045 0.92 ROCK2 (0.48) ROCK2ROCK1NOS3NOS1NOS2
SCHEMBL30189442 0.90 ROCK2 (0.52) ROCK2ROCK1DYRK1A
SCHEMBL22229560 0.90 ROCK2 (0.52) ROCK2ROCK1DYRK1A
SCHEMBL22229637 0.89 ROCK2 (0.46) ROCK2ROCK1DYRK1APDE10ATIPARP
SCHEMBL30189500 0.89 ROCK2 (0.46) ROCK2ROCK1DYRK1APDE10ATIPARP
SCHEMBL30189613 0.87 MGLL (0.35) ROCK2ROCK1NOS1NOS2
SCHEMBL22229569 0.87 MGLL (0.35) ROCK2ROCK1NOS1NOS2
SCHEMBL22229605 0.86 GRM4 (0.39) ROCK2ROCK1HCRTR1HCRTR2KDM1A
SCHEMBL22229629 0.86 ROCK2 (0.38) ROCK2

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 1/4885NOS3 708/4885

“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.