SCHEMBL3098672

SCHEMBL3098672

COc1cc(-c2ccncc2)ccc1C(=O)N[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.58
ROCK2 O75116 12/20 0.58
PRKG1 Q13976 5/20 0.52
PRKACA P17612 4/20 0.52
RPS6KB1 P23443 4/20 0.52
CDK2 P24941 4/20 0.52
MAPK1 P28482 4/20 0.52
GSK3A P49840 4/20 0.52
GSK3B P49841 4/20 0.52
PRKX P51817 4/20 0.52
PRKCD Q05655 4/20 0.52
PRKG2 Q13237 4/20 0.52
PKN2 Q16513 4/20 0.52
CDC42BPA Q5VT25 4/20 0.52
CLK4 Q9HAZ1 4/20 0.52
SGK2 Q9HBY8 4/20 0.52
CDK1 P06493 3/20 0.52
PRKCG P05129 3/20 0.52
AKT1 P31749 3/20 0.52
RPS6KA3 P51812 3/20 0.52

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
SCHEMBL3104362 1.00 ROCK1 (0.58) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3110841 0.90 ROCK1 (0.59) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3104229 0.90 ROCK1 (0.59) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3110316 0.90 ROCK1 (0.59) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3109462 0.90 ROCK1 (0.59) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3104518 0.89 ROCK1 (0.58) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3099053 0.89 ROCK1 (0.58) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3111691 0.89 ROCK1 (0.72) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3115167 0.89 ROCK1 (0.72) ROCK1ROCK2PRKG1PRKACARPS6KB1
SCHEMBL3109831 0.89 ROCK1 (0.64) ROCK1ROCK2PRKG1PRKACARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND (DE) 2015-04-16 US disclosed
US-8895749-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2014-11-25 US disclosed
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE INC. (US) 2013-11-21 US disclosed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 US disclosed
EP-2193119-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS Abbott GmbH & Co. KG (DE) 2010-06-09 EP disclosed
WO-2009027392-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBOTT GMBH & CO. KG (DE) 2009-03-05 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 (3 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-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885ROCK2 3/4885PRKG1 262/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885ROCK2 3/4885PRKG1 259/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885ROCK2 3/4885PRKG1 262/4885

“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.