SCHEMBL25875990

SCHEMBL25875990

O=C(NCc1cnccn1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.59
JAK3 P52333 19/20 0.59
ROCK1 Q13464 18/20 0.59
JAK2 O60674 17/20 0.59
JAK1 P23458 15/20 0.59
TYK2 P29597 15/20 0.59
IKBKB O14920 18/20 0.54
STAT5A P42229 1/20 0.45
PRKCD Q05655 1/20 0.44

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
SCHEMBL25876865 0.93 ROCK2 (0.64) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25876007 0.90 JAK2 (0.58) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25875952 0.88 JAK2 (0.57) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25876001 0.88 ROCK2 (0.69) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25875956 0.87 ROCK2 (0.58) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25875994 0.86 ROCK2 (0.55) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL22752066 0.85 JAK3 (0.66) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25875955 0.84 MAOA (0.54) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25875948 0.83 JAK2 (0.54) ROCK2JAK3ROCK1JAK2JAK1
SCHEMBL25876855 0.82 ROCK2 (0.79) ROCK2JAK3ROCK1JAK2JAK1

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 995/4885ROCK1 347/4885

“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.