SCHEMBL3115456

SCHEMBL3115456

CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 1.00
ROCK2 O75116 16/20 1.00
PRKACA P17612 7/20 1.00
PRKG1 Q13976 7/20 1.00
GSK3A P49840 6/20 1.00
GSK3B P49841 6/20 1.00
PRKX P51817 6/20 1.00
CLK4 Q9HAZ1 5/20 1.00
RPS6KB1 P23443 4/20 1.00
PRKCD Q05655 4/20 1.00
PKN2 Q16513 4/20 1.00
SGK2 Q9HBY8 4/20 1.00
CDK2 P24941 3/20 1.00
PRKG2 Q13237 3/20 1.00
AKT2 P31751 2/20 1.00
IRAK1 P51617 2/20 1.00
CDK5 Q00535 2/20 1.00
MINK1 Q8N4C8 2/20 1.00
HIPK4 Q8NE63 2/20 1.00
DYRK3 O43781 1/20 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
SCHEMBL3111964 0.88 ROCK1 (0.79) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL3111937 0.85 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL3101783 0.85 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL3112639 0.85 ROCK1 (0.83) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL29249176 0.85 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL3097511 0.85 ROCK1 (0.74) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL20113329 0.81 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL27931767 0.78 ROCK1 (0.64) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL3109948 0.78 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKG1GSK3A
SCHEMBL3093010 0.78 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKG1GSK3A

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 9 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-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 3/4885PRKACA 382/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885ROCK2 3/4885PRKACA 379/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885ROCK2 3/4885PRKACA 382/4885

“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.