SCHEMBL17041146

SCHEMBL17041146

CN(C)CCOc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.75
▸ ROCK1 Q13464 8/20 0.71
▸ KDR P35968 1/20 0.55

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
SCHEMBL15639461 0.89 ROCK2 (0.77) ROCK2ROCK1KDR
SCHEMBL15639826 0.86 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL15639136 0.86 KDR (0.73) ROCK2ROCK1KDR
SCHEMBL17041171 0.85 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL17041167 0.85 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL32670264 0.83 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL15639264 0.83 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL32670185 0.83 ROCK2 (1.00) ROCK2ROCK1KDR
SCHEMBL15639115 0.83 ROCK2 (1.00) ROCK2ROCK1KDR
SCHEMBL15638684 0.83 ROCK2 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815820-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2017-11-14 — — US disclosed
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 2/4885KDR 2135/4885
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS ROCK2, KDR, FLT1 ROCK2 1/4885ROCK1 5/4885KDR 2/4885

“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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