SCHEMBL25875923

SCHEMBL25875923

O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.55
JAK2 O60674 8/20 0.55
ROCK2 O75116 8/20 0.55
JAK3 P52333 7/20 0.55
IKBKB O14920 5/20 0.55
SCN3A Q9NY46 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
JAK1 P23458 3/20 0.46
TYK2 P29597 3/20 0.46
HDAC3 O15379 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC4 P56524 1/20 0.45
HCAR2 Q8TDS4 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
SCHEMBL25875889 0.81 JAK2 (0.55) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL25875914 0.79 JAK2 (0.53) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL22752095 0.78 ROCK2 (0.79) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL2162409 0.78 ROCK2 (0.75) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL22751970 0.77 JAK2 (0.77) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL22752100 0.77 JAK2 (0.77) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL2164132 0.76 ROCK2 (0.69) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL21845791 0.76 JAK2 (0.71) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL25875929 0.75 JAK2 (0.49) ROCK1JAK2ROCK2JAK3IKBKB
SCHEMBL25478350 0.75 DEGS1 (0.68) ROCK1JAK2ROCK2JAK3SCN3A

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 ROCK1 347/4885JAK2 822/4885ROCK2 209/4885

“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.