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Sugi Predict / Compounds / SCHEMBL3105174

SCHEMBL3105174

SCHEMBL3105174

C[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 11/20 0.71
▸ MAPK1 P28482 7/20 0.71
▸ PRKG1 Q13976 5/20 0.71
▸ PRKACA P17612 5/20 0.71
▸ GSK3A P49840 5/20 0.71
▸ GSK3B P49841 5/20 0.71
▸ PRKX P51817 5/20 0.71
▸ CLK4 Q9HAZ1 5/20 0.71
▸ RPS6KA5 O75582 4/20 0.71
▸ RPS6KB1 P23443 4/20 0.71
▸ CDK2 P24941 4/20 0.71
▸ PRKCD Q05655 4/20 0.71
▸ PRKG2 Q13237 4/20 0.71
▸ PKN2 Q16513 4/20 0.71
▸ CDC42BPA Q5VT25 4/20 0.71
▸ SGK2 Q9HBY8 4/20 0.71
▸ AKT1 P31749 3/20 0.71
▸ RPS6KA3 P51812 3/20 0.71
▸ AKT2 P31751 3/20 0.71
▸ HIPK4 Q8NE63 3/20 0.71

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
SCHEMBL3104249 1.00 ROCK1 (0.71) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3110154 0.88 ROCK1 (0.75) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3111975 0.88 ROCK1 (0.75) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3109290 0.87 ROCK1 (0.70) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3098343 0.85 ROCK1 (0.69) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3108989 0.85 ROCK1 (0.69) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3102386 0.85 ROCK2 (0.72) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3106737 0.84 ROCK1 (0.67) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3106799 0.84 ROCK1 (0.67) ROCK1MAPK1PRKG1PRKACAGSK3A
SCHEMBL3099203 0.84 ROCK1 (0.79) ROCK1MAPK1PRKG1PRKACAGSK3A

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 2/4885MAPK1 786/4885PRKG1 262/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885MAPK1 786/4885PRKG1 259/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK1 2/4885MAPK1 786/4885PRKG1 262/4885

“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.