SCHEMBL3093972

SCHEMBL3093972

Cc1cnccc1-c1ccc(C(=O)NC(CO)c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.73
ROCK2 O75116 11/20 0.73
RPS6KA5 O75582 3/20 0.73
MAP4K4 O95819 3/20 0.73
PRKACA P17612 3/20 0.73
RPS6KB1 P23443 3/20 0.73
AKT1 P31749 3/20 0.73
AKT2 P31751 3/20 0.73
GSK3A P49840 3/20 0.73
GSK3B P49841 3/20 0.73
PRKX P51817 3/20 0.73
NEK4 P51957 3/20 0.73
PRKCD Q05655 3/20 0.73
PRKG2 Q13237 3/20 0.73
ROCK1 Q13464 3/20 0.73
PRKG1 Q13976 3/20 0.73
PKN2 Q16513 3/20 0.73
CDC42BPA Q5VT25 3/20 0.73
CLK4 Q9HAZ1 3/20 0.73
SGK2 Q9HBY8 3/20 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
SCHEMBL3104408 0.86 MAPK1 (0.67) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL3115273 0.85 ROCK2 (1.00) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL3106386 0.84 MAPK1 (0.57) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL3103980 0.80 ROCK1 (0.64) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL3093173 0.80 ROCK1 (0.64) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL16679599 0.79 MAPK1 (1.00) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL19813035 0.79 MAPK1 (1.00) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL30760076 0.78 MAPK1 (0.60) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL3114474 0.78 MAPK1 (0.59) MAPK1ROCK2RPS6KA5MAP4K4PRKACA
SCHEMBL3115640 0.78 MAPK1 (0.59) MAPK1ROCK2RPS6KA5MAP4K4PRKACA

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 MAPK1 786/4885ROCK2 3/4885RPS6KA5 447/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 MAPK1 786/4885ROCK2 3/4885RPS6KA5 447/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 MAPK1 786/4885ROCK2 3/4885RPS6KA5 447/4885

“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.