SCHEMBL3097706

SCHEMBL3097706

O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(-c2ccncc2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.58
GSK3B P49841 8/20 0.58
CLK4 Q9HAZ1 8/20 0.58
GSK3A P49840 7/20 0.58
RPS6KA5 O75582 7/20 0.58
PRKG1 Q13976 7/20 0.58
PKN2 Q16513 7/20 0.58
MAPK1 P28482 7/20 0.58
AKT1 P31749 6/20 0.58
PRKCD Q05655 6/20 0.58
PRKG2 Q13237 6/20 0.58
PRKACA P17612 6/20 0.58
PRKX P51817 6/20 0.58
SGK2 Q9HBY8 6/20 0.58
RPS6KB1 P23443 5/20 0.58
CDK2 P24941 5/20 0.58
RPS6KA3 P51812 5/20 0.58
CDC42BPA Q5VT25 5/20 0.58
MAP4K4 O95819 4/20 0.58
CDK1 P06493 4/20 0.58

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
SCHEMBL3106509 1.00 ROCK1 (0.58) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3106500 1.00 ROCK1 (0.58) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3097693 1.00 ROCK1 (0.58) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3111975 0.84 ROCK1 (0.75) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3110154 0.84 ROCK1 (0.75) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3108620 0.83 ROCK2 (0.67) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3108616 0.83 ROCK2 (0.67) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3092642 0.83 ROCK2 (0.67) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3092650 0.83 ROCK2 (0.67) ROCK1GSK3BCLK4GSK3ARPS6KA5
SCHEMBL3109334 0.75 MAPK1 (0.58) ROCK1GSK3BCLK4GSK3ARPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2/4885GSK3B 301/4885CLK4 2711/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885GSK3B 303/4885CLK4 2723/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885GSK3B 301/4885CLK4 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.