SCHEMBL3115273

SCHEMBL3115273

O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 1.00
MAPK1 P28482 8/20 1.00
ROCK1 Q13464 8/20 1.00
CLK4 Q9HAZ1 6/20 1.00
PRKG2 Q13237 5/20 1.00
PRKG1 Q13976 5/20 1.00
PKN2 Q16513 5/20 1.00
GSK3B P49841 5/20 1.00
RPS6KA5 O75582 4/20 1.00
AKT1 P31749 4/20 1.00
NEK4 P51957 4/20 1.00
PRKCD Q05655 4/20 1.00
RPS6KB1 P23443 4/20 1.00
GSK3A P49840 4/20 1.00
PRKACA P17612 4/20 1.00
PRKX P51817 4/20 1.00
MAP4K4 O95819 3/20 1.00
AKT2 P31751 3/20 1.00
CDC42BPA Q5VT25 3/20 1.00
SGK2 Q9HBY8 3/20 1.00

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
SCHEMBL27928779 0.86 ROCK2 (0.75) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3093972 0.85 MAPK1 (0.73) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3113006 0.84 ROCK2 (0.76) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3111276 0.84 ROCK2 (1.00) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3092517 0.84 ROCK2 (1.00) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3104302 0.81 ROCK2 (0.68) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3108391 0.81 ROCK2 (0.79) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3655064 0.81 ROCK2 (0.92) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL3098358 0.81 ROCK2 (0.67) ROCK2MAPK1ROCK1CLK4PRKG2
SCHEMBL20113323 0.80 ROCK2 (0.79) ROCK2MAPK1ROCK1CLK4PRKG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903349-B 4- (4-pyridinyl) -benzamides and their use as ROCK activity modulators ABBOTT GMBH & CO KG 2014-01-08 CN claimed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US claimed
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
CN-103896831-A 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE DEUTSCHLAND 2014-07-02 CN 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 ROCK2 3/4885MAPK1 786/4885ROCK1 2/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885MAPK1 786/4885ROCK1 2/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885MAPK1 786/4885ROCK1 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.