SCHEMBL25875960

SCHEMBL25875960

CN(C)Cc1ccc(NC(=O)c2cccc([C@@H]3C[C@H]3C(=O)Nc3ccc4cccc(Cl)c4c3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.69
JAK2 O60674 3/20 0.69
JAK3 P52333 3/20 0.69
IKBKB O14920 2/20 0.69
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
ROCK1 Q13464 2/20 0.45
KDM1A O60341 4/20 0.41
MAOB P27338 1/20 0.41
MAOA P21397 1/20 0.40
CYP3A4 P08684 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40

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
SCHEMBL25876759 0.90 ROCK2 (0.84) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL25876023 0.90 ROCK2 (0.86) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL25876002 0.88 ROCK2 (0.67) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL25875961 0.83 ROCK2 (0.54) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL22751907 0.82 ROCK2 (0.64) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL21845815 0.82 ROCK2 (1.00) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL25875955 0.82 MAOA (0.54) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL25875953 0.81 JAK2 (0.53) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL25875930 0.80 ROCK2 (0.53) ROCK2JAK2JAK3IKBKBJAK1
SCHEMBL25875956 0.80 ROCK2 (0.58) ROCK2JAK2JAK3IKBKBJAK1

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 209/4885JAK2 822/4885JAK3 995/4885

“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.