SCHEMBL3102386

SCHEMBL3102386

C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.72
ROCK1 Q13464 10/20 0.72
PRKG1 Q13976 4/20 0.72
PRKACA P17612 3/20 0.72
RPS6KB1 P23443 3/20 0.72
CDK2 P24941 3/20 0.72
GSK3A P49840 3/20 0.72
GSK3B P49841 3/20 0.72
PRKX P51817 3/20 0.72
PRKCD Q05655 3/20 0.72
PRKG2 Q13237 3/20 0.72
PKN2 Q16513 3/20 0.72
CLK4 Q9HAZ1 3/20 0.72
SGK2 Q9HBY8 3/20 0.72
RPS6KA5 O75582 2/20 0.72
CDK1 P06493 2/20 0.72
MAPK1 P28482 2/20 0.72
CDC42BPA Q5VT25 2/20 0.72
MAP4K4 O95819 1/20 0.72
CSF1R P07333 1/20 0.72

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
SCHEMBL3105174 0.85 ROCK1 (0.71) ROCK2ROCK1PRKG1PRKACARPS6KB1
SCHEMBL3093505 0.85 ROCK1 (0.71) ROCK2ROCK1PRKG1PRKACARPS6KB1
SCHEMBL3104249 0.85 ROCK1 (0.71) ROCK2ROCK1PRKG1PRKACARPS6KB1
SCHEMBL3109312 0.85 ROCK1 (0.52) ROCK2ROCK1PRKG1PRKACARPS6KB1
SCHEMBL3101273 0.85 ROCK1 (0.52) ROCK2ROCK1PRKG1PRKACARPS6KB1
SCHEMBL3093010 0.84 ROCK1 (1.00) ROCK2ROCK1PRKG1PRKACARPS6KB1
SCHEMBL3109948 0.84 ROCK1 (1.00) ROCK2ROCK1PRKG1PRKACARPS6KB1
SCHEMBL12121924 0.84 MMP9 (0.64) ROCK2ROCK1HPGDSMMP9UTS2R
SCHEMBL1318145 0.83 HPGDS (0.60) ROCK2ROCK1HPGDSMMP9UTS2R
SCHEMBL3099714 0.82 ROCK1 (0.57) ROCK2ROCK1PRKG1PRKACARPS6KB1

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 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.