SCHEMBL25876759

SCHEMBL25876759

CN(C)Cc1ccc(NC(=O)c2cccc([C@@H]3C[C@H]3C(=O)Nc3ccc4cncc(Cl)c4c3)c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.84
JAK3 P52333 18/20 0.84
IKBKB O14920 17/20 0.84
JAK2 O60674 16/20 0.84
ROCK1 Q13464 17/20 0.55
JAK1 P23458 16/20 0.55
TYK2 P29597 16/20 0.55
STAT5A P42229 1/20 0.51
PRKCD Q05655 1/20 0.49

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
SCHEMBL21845815 0.92 ROCK2 (1.00) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL25875960 0.90 ROCK2 (0.69) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL25876851 0.89 JAK3 (0.80) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL22751907 0.86 ROCK2 (0.64) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL25876023 0.84 ROCK2 (0.86) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL25876762 0.83 ROCK2 (0.66) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL22752047 0.83 ROCK2 (0.65) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL25876761 0.82 ROCK2 (0.65) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL25876765 0.82 ROCK2 (0.65) ROCK2JAK3IKBKBJAK2ROCK1
SCHEMBL25876769 0.81 ROCK2 (0.64) ROCK2JAK3IKBKBJAK2ROCK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 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 (1 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 ROCK2 209/4885JAK3 995/4885IKBKB 31/4885

“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.