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SCHEMBL3098628

SCHEMBL3098628

CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1nc(-c2ccccc2Cl)no1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.66
▸ ROCK2 O75116 4/20 0.57
▸ ROCK1 Q13464 4/20 0.57
▸ PRKG1 Q13976 3/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ RPS6KA5 O75582 2/20 0.57
▸ CDK1 P06493 2/20 0.57
▸ PRKACA P17612 2/20 0.57
▸ RPS6KB1 P23443 2/20 0.57
▸ CDK2 P24941 2/20 0.57
▸ GSK3A P49840 2/20 0.57
▸ GSK3B P49841 2/20 0.57
▸ PRKX P51817 2/20 0.57
▸ PRKCD Q05655 2/20 0.57
▸ PRKG2 Q13237 2/20 0.57
▸ PKN2 Q16513 2/20 0.57
▸ CDC42BPA Q5VT25 2/20 0.57
▸ CLK4 Q9HAZ1 2/20 0.57
▸ SGK2 Q9HBY8 2/20 0.57
▸ MAP4K4 O95819 1/20 0.57

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
SCHEMBL3102254 0.85 ROCK2 (0.67) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL3106870 0.85 ROCK2 (0.61) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL3104470 0.84 KMT2A (0.65) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL3109357 0.81 SMN1; SMN2 (0.65) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL3101227 0.80 KCNT1 (0.58) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL3115663 0.78 KCNT1 (0.60) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL3103842 0.74 ROCK1 (0.54) ROCK2ROCK1PRKG1MAPK1RPS6KA5
SCHEMBL3093010 0.73 ROCK1 (1.00) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL3109948 0.73 ROCK1 (1.00) KMT2AROCK2ROCK1PRKG1MAPK1
SCHEMBL6979612 0.73 KMT2A (0.56) KMT2AMAPK1TSHRTP53DPP4

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 5 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

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 3/4885ROCK1 2/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 KMT2A 3124/4885ROCK2 3/4885ROCK1 2/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 KMT2A 3138/4885ROCK2 3/4885ROCK1 2/4885

“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.