SCHEMBL25876019

SCHEMBL25876019

O=C(NC[C@@H]1CCCNC1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.56
ROCK2 O75116 14/20 0.56
ROCK1 Q13464 13/20 0.56
JAK3 P52333 13/20 0.56
IKBKB O14920 11/20 0.56
JAK1 P23458 11/20 0.56
TYK2 P29597 11/20 0.56
CHEK2 O96017 1/20 0.39
MET P08581 1/20 0.39
KDM1A O60341 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
SCHEMBL25875964 0.90 JAK2 (0.50) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752056 0.84 JAK2 (0.68) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25875931 0.83 JAK2 (0.49) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25875957 0.83 ROCK2 (0.41) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25875955 0.80 MAOA (0.54) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25876001 0.79 ROCK2 (0.69) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25875956 0.78 ROCK2 (0.58) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25876007 0.77 JAK2 (0.58) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25875952 0.76 JAK2 (0.57) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL25875953 0.76 JAK2 (0.53) JAK2ROCK2ROCK1JAK3IKBKB

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 JAK2 822/4885ROCK2 209/4885ROCK1 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.