SCHEMBL2442485

SCHEMBL2442485

CC(NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.59

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
SCHEMBL2476502 0.90 ROCK2 (0.51) ROCK2
SCHEMBL2478782 0.88 ROCK2 (0.48) ROCK2
SCHEMBL2440169 0.87 ROCK2 (0.55) ROCK2
SCHEMBL14245260 0.83 ROCK2 (0.70) ROCK2
SCHEMBL2438720 0.82 CYP17A1 (0.41) ROCK2
SCHEMBL14245370 0.82 ROCK2 (0.68) ROCK2
SCHEMBL28832884 0.78 ROCK2 (0.53) ROCK2
SCHEMBL12330028 0.77 ROCK2 (0.48) ROCK2
SCHEMBL14245486 0.77 ROCK2 (0.73) ROCK2
SCHEMBL2438385 0.76 ROCK2 (0.55) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
EP-2626348-A1 Heterocyclic amides as rock inhibitors Amakem NV (BE) 2013-08-14 EP disclosed
EP-2626348-A1 Heterocyclic amides as rock inhibitors Amakem NV (BE) 2013-08-14 EP disclosed
EP-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP disclosed
EP-2542528-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS Amakem NV (BE) 2013-01-09 EP disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
WO-2011107608-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2011-09-09 WO disclosed
WO-2011107608-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2011-09-09 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 (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-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885
US-20130252975-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 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.