SCHEMBL3113017

SCHEMBL3113017

Cc1cnccc1-c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.73
MAPK1 P28482 4/20 0.73
PRKACA P17612 4/20 0.73
GSK3A P49840 4/20 0.73
GSK3B P49841 4/20 0.73
PRKX P51817 4/20 0.73
CLK4 Q9HAZ1 4/20 0.73
RPS6KA5 O75582 3/20 0.73
RPS6KB1 P23443 3/20 0.73
CDK2 P24941 3/20 0.73
AKT1 P31749 3/20 0.73
RPS6KA3 P51812 3/20 0.73
PRKCD Q05655 3/20 0.73
PRKG2 Q13237 3/20 0.73
PRKG1 Q13976 3/20 0.73
PKN2 Q16513 3/20 0.73
CDC42BPA Q5VT25 3/20 0.73
SGK2 Q9HBY8 3/20 0.73
MAP4K4 O95819 2/20 0.73
CDK1 P06493 2/20 0.73

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
SCHEMBL3101800 1.00 ROCK1 (0.73) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL27928754 0.90 ROCK1 (0.67) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3104441 0.90 ROCK1 (0.67) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3109877 0.90 ROCK1 (0.67) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3093173 0.88 ROCK1 (0.64) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3106379 0.88 ROCK1 (0.64) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3114879 0.88 ROCK1 (0.64) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3103980 0.88 ROCK1 (0.64) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3104423 0.88 ROCK1 (0.64) ROCK1MAPK1PRKACAGSK3AGSK3B
SCHEMBL3109874 0.88 ROCK1 (0.64) ROCK1MAPK1PRKACAGSK3AGSK3B

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 2/4885MAPK1 786/4885PRKACA 382/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885MAPK1 786/4885PRKACA 379/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885MAPK1 786/4885PRKACA 382/4885

“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.