SCHEMBL3110140

SCHEMBL3110140

COc1cc(-c2ccncc2)ccc1C(=O)NC(CO)c1ccc(OC)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.56
ROCK1 Q13464 12/20 0.55
RPS6KA5 O75582 2/20 0.46
PRKACA P17612 2/20 0.46
MAPK1 P28482 2/20 0.46
GSK3B P49841 2/20 0.46
PRKX P51817 2/20 0.46
PRKG1 Q13976 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
RPS6KA4 O75676 1/20 0.46
LIMK1 P53667 1/20 0.46
MAPK13 O15264 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45

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
SCHEMBL3115110 0.89 ROCK2 (0.58) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3101862 0.89 ROCK2 (0.62) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3103673 0.83 ROCK2 (0.55) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3112031 0.82 ROCK2 (0.62) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3108364 0.80 ROCK2 (0.52) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3098358 0.80 ROCK2 (0.67) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3103819 0.80 ROCK2 (0.62) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3104205 0.79 ROCK2 (0.62) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3104677 0.79 ROCK1 (0.74) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL3110648 0.78 ROCK2 (0.63) ROCK2ROCK1RPS6KA5PRKACAMAPK1

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 6 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

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 2/4885RPS6KA5 447/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885RPS6KA5 447/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885RPS6KA5 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.