SCHEMBL25630335

SCHEMBL25630335

c1cc(-c2ccc(Nc3ccnc(N4CCCCC4)n3)cc2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.68
▸ ROCK1 Q13464 7/20 0.68
▸ MAPK8 P45983 1/20 0.50
▸ CDC7 O00311 1/20 0.50
▸ HSP90AA1 P07900 2/20 0.49
▸ HSP90AB1 P08238 2/20 0.49
▸ ACHE P22303 1/20 0.47

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
SCHEMBL20784059 0.88 ROCK2 (0.75) ROCK2ROCK1HSP90AA1HSP90AB1
SCHEMBL25630333 0.85 ROCK2 (0.78) ROCK2ROCK1ACHE
SCHEMBL25630336 0.83 MAPK8 (0.52) ROCK2ROCK1MAPK8CDC7HSP90AA1
SCHEMBL15698538 0.83 CCNE1 (0.61) ROCK2ROCK1MAPK8CDC7HSP90AA1
SCHEMBL20784036 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20783908 0.81 ROCK2 (0.96) ROCK2ROCK1
SCHEMBL20774897 0.80 ROCK2 (1.00) ROCK2ROCK1HSP90AA1HSP90AB1
SCHEMBL28296626 0.79 ACHE (0.50) ROCK2ROCK1MAPK8CDC7HSP90AA1
SCHEMBL20774728 0.78 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20774709 0.78 ROCK2 (1.00) ROCK2ROCK1

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-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC (US) 2023-06-08 — — 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 (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-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885MAPK8 687/4885

“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.

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