Sugi Predict

Sugi Predict / Compounds / SCHEMBL3109946

SCHEMBL3109946

SCHEMBL3109946

COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 14/20 0.77
▸ PRKG1 Q13976 7/20 0.77
▸ PRKACA P17612 7/20 0.77
▸ GSK3A P49840 7/20 0.77
▸ GSK3B P49841 7/20 0.77
▸ PRKX P51817 7/20 0.77
▸ CLK4 Q9HAZ1 7/20 0.77
▸ MAPK1 P28482 7/20 0.77
▸ RPS6KB1 P23443 6/20 0.77
▸ PRKCD Q05655 6/20 0.77
▸ PKN2 Q16513 6/20 0.77
▸ SGK2 Q9HBY8 6/20 0.77
▸ RPS6KA5 O75582 5/20 0.77
▸ CDK2 P24941 5/20 0.77
▸ PRKG2 Q13237 5/20 0.77
▸ CDC42BPA Q5VT25 5/20 0.77
▸ AKT2 P31751 4/20 0.77
▸ HIPK4 Q8NE63 4/20 0.77
▸ AKT1 P31749 4/20 0.77
▸ RPS6KA3 P51812 4/20 0.77

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
SCHEMBL27928754 0.89 ROCK1 (0.67) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3104441 0.89 ROCK1 (0.67) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3109877 0.89 ROCK1 (0.67) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3104219 0.87 ROCK1 (1.00) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3113015 0.87 ROCK1 (1.00) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3104423 0.86 ROCK1 (0.64) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3093173 0.86 ROCK1 (0.64) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3114879 0.86 ROCK1 (0.64) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3103980 0.86 ROCK1 (0.64) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL3109874 0.86 ROCK1 (0.64) ROCK1PRKG1PRKACAGSK3AGSK3B

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 ROCK1 2/4885PRKG1 262/4885PRKACA 382/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885PRKG1 259/4885PRKACA 379/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885PRKG1 262/4885PRKACA 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.