SCHEMBL3112669

SCHEMBL3112669

COc1cccc(C(CN2CCCC2)NC(=O)c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.82
ROCK1 Q13464 16/20 0.82
PRKG1 Q13976 3/20 0.71
PRKACA P17612 3/20 0.71
GSK3A P49840 3/20 0.71
GSK3B P49841 3/20 0.71
CLK4 Q9HAZ1 3/20 0.71
CHEK1 O14757 2/20 0.71
RPS6KA5 O75582 2/20 0.71
PRKCG P05129 2/20 0.71
CDK1 P06493 2/20 0.71
RPS6KB1 P23443 2/20 0.71
CDK2 P24941 2/20 0.71
MAPK1 P28482 2/20 0.71
AKT2 P31751 2/20 0.71
IRAK1 P51617 2/20 0.71
NEK4 P51957 2/20 0.71
CDK5 Q00535 2/20 0.71
PRKCD Q05655 2/20 0.71
PRKG2 Q13237 2/20 0.71

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
SCHEMBL3110546 1.00 ROCK2 (0.82) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL3107317 1.00 ROCK2 (0.82) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL3112675 0.85 ROCK2 (0.80) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL3103983 0.84 ROCK2 (0.78) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL3093125 0.83 ROCK2 (1.00) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL19297822 0.81 ROCK2 (0.81) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL21509798 0.80 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL3101783 0.80 ROCK1 (1.00) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL3111937 0.80 ROCK1 (1.00) ROCK2ROCK1PRKG1PRKACAGSK3A
SCHEMBL29249176 0.80 ROCK1 (1.00) ROCK2ROCK1PRKG1PRKACAGSK3A

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 ROCK2 3/4885ROCK1 2/4885PRKG1 262/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885PRKG1 259/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885PRKG1 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.