SCHEMBL3104425

SCHEMBL3104425

O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 1.00
ROCK2 O75116 13/20 1.00
CLK4 Q9HAZ1 10/20 1.00
PRKG1 Q13976 9/20 1.00
GSK3B P49841 9/20 1.00
PRKACA P17612 8/20 1.00
PRKX P51817 8/20 1.00
PKN2 Q16513 8/20 1.00
RPS6KA5 O75582 8/20 1.00
MAPK1 P28482 7/20 1.00
GSK3A P49840 7/20 1.00
SGK2 Q9HBY8 6/20 1.00
IRAK1 P51617 4/20 1.00
RPS6KA4 O75676 2/20 1.00
PRKG2 Q13237 7/20 0.77
RPS6KB1 P23443 6/20 0.77
LIMK1 P53667 3/20 0.77
HIPK4 Q8NE63 3/20 0.77
AURKB Q96GD4 2/20 0.77
CSNK1G1 Q9HCP0 1/20 0.77

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
SCHEMBL3092785 1.00 ROCK1 (1.00) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL7453482 0.90 ROCK2 (0.82) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL6092534 0.89 ROCK2 (0.80) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL6092542 0.89 ROCK2 (0.80) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL3106811 0.89 ROCK2 (0.79) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL3102566 0.88 ROCK1 (0.80) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL3109183 0.88 ROCK1 (0.80) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL14949855 0.87 ROCK1 (1.00) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL3113484 0.85 ROCK1 (0.74) ROCK1ROCK2CLK4PRKG1GSK3B
SCHEMBL3682310 0.84 CTRB1 (0.73) ROCK1ROCK2CLK4PRKG1GSK3B

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 ROCK1 2/4885ROCK2 3/4885CLK4 2711/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885ROCK2 3/4885CLK4 2723/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885ROCK2 3/4885CLK4 2711/4885

“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.