SCHEMBL25875994

SCHEMBL25875994

O=C(NCc1nccs1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.55
JAK3 P52333 12/20 0.55
JAK2 O60674 11/20 0.55
TYK2 P29597 11/20 0.55
ROCK1 Q13464 11/20 0.55
JAK1 P23458 10/20 0.55
IKBKB O14920 11/20 0.52
SCN3A Q9NY46 4/20 0.47
KDM1A O60341 1/20 0.44
ACKR3 P25106 1/20 0.42
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
COPS5 Q92905 1/20 0.42
PRKCD Q05655 1/20 0.41
STAT5A P42229 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL25875927 0.93 ROCK2 (0.52) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25876862 0.92 ROCK2 (0.63) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25876001 0.88 ROCK2 (0.69) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25876007 0.87 JAK2 (0.58) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25875990 0.86 ROCK2 (0.59) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25875956 0.85 ROCK2 (0.58) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25875955 0.84 MAOA (0.54) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25875952 0.83 JAK2 (0.57) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL21845765 0.82 ROCK2 (0.64) ROCK2JAK3JAK2TYK2ROCK1
SCHEMBL25875932 0.80 ROCK2 (0.62) ROCK2JAK3JAK2TYK2ROCK1

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 995/4885JAK2 822/4885

“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.