SCHEMBL30189613

SCHEMBL30189613

CN(C)CCOc1ccc2c(c1)CN(c1nccc(-c3nccc(/C=C/c4ccnc(N)c4)n3)n1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
TRAP1 Q12931 4/20 0.35
HSP90B1 P14625 3/20 0.35
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
KIT P10721 1/20 0.31
FGFR4 P22455 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
SCHEMBL22229569 1.00 MGLL (0.35) MGLLABHD6TRAP1HSP90B1ROCK2
SCHEMBL28435159 0.93 MGLL (0.38) MGLLABHD6TRAP1HSP90B1ROCK2
SCHEMBL22229621 0.91 ROCK2 (0.39) MGLLABHD6TRAP1HSP90B1ROCK2
SCHEMBL30189612 0.91 ROCK2 (0.39) MGLLABHD6TRAP1HSP90B1ROCK2
SCHEMBL22229650 0.87 ROCK2 (0.43) ROCK2ROCK1NOS1NOS2
SCHEMBL30189463 0.87 ROCK2 (0.43) ROCK2ROCK1NOS1NOS2
SCHEMBL22229567 0.84 KDM4E (0.33) ADORA2AADORA1AURKAJAK2EGFR
SCHEMBL22229629 0.81 ROCK2 (0.38) ROCK2KDM4E
SCHEMBL22229605 0.81 GRM4 (0.39) ROCK2ROCK1ADORA2A
SCHEMBL22229617 0.81 GRM4 (0.31)

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 MGLL 4567/4885ABHD6 4186/4885TRAP1 648/4885

“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.