SCHEMBL3109976

SCHEMBL3109976

CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1cnn(-c2ccccc2F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.60
ROCK2 O75116 12/20 0.60
PRKG1 Q13976 9/20 0.60
GSK3B P49841 8/20 0.60
CLK4 Q9HAZ1 8/20 0.60
PRKCD Q05655 7/20 0.60
PRKG2 Q13237 7/20 0.60
PKN2 Q16513 7/20 0.60
GSK3A P49840 7/20 0.60
PRKACA P17612 7/20 0.60
RPS6KB1 P23443 6/20 0.60
CDK2 P24941 6/20 0.60
SGK2 Q9HBY8 6/20 0.60
PRKX P51817 6/20 0.60
RPS6KA5 O75582 6/20 0.60
AKT1 P31749 6/20 0.60
CDK1 P06493 5/20 0.60
MAPK1 P28482 5/20 0.60
CDC42BPA Q5VT25 5/20 0.60
MAP4K4 O95819 4/20 0.60

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
SCHEMBL3092814 0.86 ROCK1 (0.57) ROCK1ROCK2PRKG1GSK3BCLK4
SCHEMBL3112417 0.83 ROCK2 (0.56) ROCK1ROCK2PRKG1GSK3BCLK4
SCHEMBL17040353 0.79 RAB9A (0.44) DYRK1BRAB9A
SCHEMBL3102099 0.78 ROCK1 (0.60) ROCK1ROCK2PRKG1GSK3BCLK4
SCHEMBL27928821 0.77 ROCK1 (0.71) ROCK1ROCK2PRKG1GSK3BCLK4
SCHEMBL17037434 0.77 RAB9A (0.43) DYRK1BRAB9A
SCHEMBL3110341 0.77 ROCK1 (0.67) ROCK1ROCK2PRKG1GSK3BCLK4
SCHEMBL3093010 0.76 ROCK1 (1.00) ROCK1ROCK2PRKG1GSK3BCLK4
SCHEMBL3109948 0.76 ROCK1 (1.00) ROCK1ROCK2PRKG1GSK3BCLK4
SCHEMBL3109180 0.74 ROCK2 (0.75) ROCK1ROCK2PRKG1GSK3BCLK4

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 7 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

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