SCHEMBL3104677

SCHEMBL3104677

COc1cc(-c2ccncc2)ccc1C(=O)N[C@H](CCO)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.74
ROCK2 O75116 14/20 0.74
CLK4 Q9HAZ1 6/20 0.65
GSK3A P49840 5/20 0.65
GSK3B P49841 5/20 0.65
PRKACA P17612 4/20 0.65
PRKX P51817 3/20 0.65
PRKCQ Q04759 2/20 0.65
CDK8 P49336 1/20 0.65
AKT1 P31749 5/20 0.53
NEK4 P51957 5/20 0.53
PRKCD Q05655 5/20 0.53
PRKG1 Q13976 5/20 0.53
PKN2 Q16513 5/20 0.53
MAPK1 P28482 5/20 0.53
MAP4K4 O95819 4/20 0.53
PRKCG P05129 4/20 0.53
RPS6KB1 P23443 4/20 0.53
CDK2 P24941 4/20 0.53
AKT2 P31751 4/20 0.53

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
SCHEMBL17439822 0.85 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL3104564 0.84 ROCK1 (0.64) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3109831 0.84 ROCK1 (0.64) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3101862 0.83 ROCK2 (0.62) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3103819 0.82 ROCK2 (0.62) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3112031 0.82 ROCK2 (0.62) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3097211 0.81 ROCK2 (0.57) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3115400 0.81 ROCK2 (0.58) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3109682 0.81 ROCK2 (0.58) ROCK1ROCK2CLK4GSK3AGSK3B
SCHEMBL3115390 0.81 ROCK2 (0.58) ROCK1ROCK2CLK4GSK3AGSK3B

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 2/4885ROCK2 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.