SCHEMBL1509653

SCHEMBL1509653

CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc3cnccc23)C1.O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.48
ROCK1 Q13464 7/20 0.45
BRD4 O60885 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
USP30 Q70CQ3 1/20 0.44
BTK Q06187 1/20 0.44
CCR2 P41597 3/20 0.44

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
SCHEMBL1509607 1.00 ROCK2 (0.48) ROCK2ROCK1BRD4CCNA2CDK2
SCHEMBL727698 0.90 ROCK2 (0.52) ROCK2ROCK1CCR2
SCHEMBL659539 0.89 ROCK2 (0.54) ROCK2ROCK1CCR2
SCHEMBL528598 0.89 ROCK2 (0.54) ROCK2ROCK1CCR2
SCHEMBL1509605 0.87 ROCK2 (0.49) ROCK2ROCK1BRD4USP30BTK
SCHEMBL1509608 0.86 ROCK2 (0.44) ROCK2ROCK1BRD4USP30BTK
SCHEMBL1509654 0.86 ROCK2 (0.44) ROCK2ROCK1BRD4USP30BTK
SCHEMBL4477690 0.84 ROCK2 (0.56) ROCK2ROCK1CCR2
SCHEMBL29862650 0.84 ROCK2 (0.58) ROCK2ROCK1CCNA2CDK2CCR2
SCHEMBL5662572 0.84 ROCK2 (0.58) ROCK2ROCK1CCNA2CDK2CCR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US claimed
US-8158796-B2 Process for the preparation of Rho-kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO 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-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885BRD4 2573/4885

“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.