SCHEMBL3101929

SCHEMBL3101929

O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.67
GSK3B P49841 5/20 0.67
CLK4 Q9HAZ1 5/20 0.67
RPS6KA5 O75582 4/20 0.67
AKT1 P31749 4/20 0.67
PRKCD Q05655 4/20 0.67
PRKG2 Q13237 4/20 0.67
PRKG1 Q13976 4/20 0.67
PKN2 Q16513 4/20 0.67
GSK3A P49840 4/20 0.67
ROCK2 O75116 4/20 0.67
MAPK1 P28482 4/20 0.67
NEK4 P51957 3/20 0.67
MAP4K4 O95819 3/20 0.67
CDK1 P06493 3/20 0.67
RPS6KB1 P23443 3/20 0.67
CDK2 P24941 3/20 0.67
RPS6KA3 P51812 3/20 0.67
CDC42BPA Q5VT25 3/20 0.67
SGK2 Q9HBY8 3/20 0.67

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
SCHEMBL24240734 0.95 CYP26A1 (0.72) ROCK1GSK3BCLK4RPS6KA5AKT1
SCHEMBL24240727 0.91 CYP26A1 (0.64) ROCK1GSK3BCLK4RPS6KA5AKT1
SCHEMBL24240730 0.86 CYP51A1 (0.70) CYP26A1CYP51A1
SCHEMBL3112675 0.81 ROCK2 (0.80) ROCK1GSK3BCLK4RPS6KA5AKT1
SCHEMBL3111276 0.80 ROCK2 (1.00) ROCK1GSK3BCLK4RPS6KA5AKT1
SCHEMBL3092517 0.80 ROCK2 (1.00) ROCK1GSK3BCLK4RPS6KA5AKT1
SCHEMBL3103983 0.80 ROCK2 (0.78) ROCK1GSK3BCLK4RPS6KA5AKT1
SCHEMBL24240729 0.79 CYP26A1 (0.53) MAPK1RPS6KB1CYP26A1
SCHEMBL3105352 0.79 ROCK2 (1.00) ROCK1GSK3BCLK4RPS6KA5AKT1
SCHEMBL3103847 0.79 ROCK2 (0.78) ROCK1GSK3BCLK4RPS6KA5AKT1

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
CN-101903349-B 4- (4-pyridinyl) -benzamides and their use as ROCK activity modulators ABBOTT GMBH & CO KG 2014-01-08 CN claimed
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
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 2/4885GSK3B 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.