SCHEMBL17040600

SCHEMBL17040600

O=C(COc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1)Nc1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.76
▸ ROCK1 Q13464 12/20 0.76

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
SCHEMBL32670211 0.87 ROCK2 (0.85) ROCK2ROCK1
SCHEMBL15639833 0.87 ROCK2 (0.85) ROCK2ROCK1
SCHEMBL17041039 0.86 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17040958 0.86 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17038111 0.85 ROCK2 (1.00) ROCK2ROCK1
Hydrochloric Acid SCHEMBL15639456 0.85 ROCK2 (0.98) ROCK2ROCK1
Hydrochloric Acid SCHEMBL29576123 0.85 ROCK2 (0.98) ROCK2ROCK1
SCHEMBL17038100 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17038095 0.84 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL1725263 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112832-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC 2017-04-27 — — US disclosed
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS KADMON CORPORATION, LLC 2015-08-27 — — 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 (2 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-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS ROCK2, KDR, FLT1 ROCK2 1/4885ROCK1 5/4885

“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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