SCHEMBL3104470

SCHEMBL3104470

CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
ROCK2 O75116 3/20 0.55
PRKACA P17612 3/20 0.55
RPS6KB1 P23443 3/20 0.55
PRKX P51817 3/20 0.55
PRKG2 Q13237 3/20 0.55
ROCK1 Q13464 3/20 0.55
PRKG1 Q13976 3/20 0.55
PKN2 Q16513 3/20 0.55
CLK4 Q9HAZ1 3/20 0.55
LIMK1 P53667 2/20 0.55
AURKB Q96GD4 2/20 0.55
RPS6KA5 O75582 2/20 0.55
MAP4K4 O95819 2/20 0.55
MAPK1 P28482 2/20 0.55
AKT1 P31749 2/20 0.55
GSK3A P49840 2/20 0.55
GSK3B P49841 2/20 0.55
PRKCD Q05655 2/20 0.55
CDC42BPA Q5VT25 2/20 0.55

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
SCHEMBL3106870 0.94 ROCK2 (0.61) KMT2AROCK2PRKACARPS6KB1PRKX
SCHEMBL3109357 0.89 SMN1; SMN2 (0.65) KMT2AROCK2PRKACARPS6KB1PRKX
SCHEMBL3102254 0.89 ROCK2 (0.67) KMT2AROCK2PRKACARPS6KB1PRKX
SCHEMBL3098628 0.84 KMT2A (0.66) KMT2AROCK2PRKACARPS6KB1PRKX
SCHEMBL3101227 0.84 KCNT1 (0.58) KMT2AROCK2PRKACARPS6KB1PRKX
SCHEMBL3109453 0.82 ROCK1 (0.75) KMT2AROCK2PRKACARPS6KB1PRKX
SCHEMBL3115663 0.82 KCNT1 (0.60) KMT2AROCK2PRKACARPS6KB1PRKX
SCHEMBL25257528 0.79 KCNT1 (0.63) KMT2AKCNT1TDP1
SCHEMBL25257529 0.79 KCNT1 (0.63) KMT2AKCNT1TDP1
SCHEMBL3103842 0.78 ROCK1 (0.54) ROCK2PRKACARPS6KB1PRKXPRKG2

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
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 KMT2A 3138/4885ROCK2 3/4885PRKACA 382/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 KMT2A 3124/4885ROCK2 3/4885PRKACA 379/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 KMT2A 3138/4885ROCK2 3/4885PRKACA 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.