SCHEMBL25875931

SCHEMBL25875931

O=C(NCC1CCNCC1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.49
ROCK2 O75116 12/20 0.49
JAK3 P52333 12/20 0.49
ROCK1 Q13464 12/20 0.49
IKBKB O14920 10/20 0.49
JAK1 P23458 10/20 0.49
TYK2 P29597 10/20 0.49
CHRM1 P11229 3/20 0.45
MAPK14 Q16539 3/20 0.42
STAT5A P42229 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL21845770 0.88 ROCK2 (0.64) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875964 0.84 JAK2 (0.50) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875936 0.83 KDM4E (0.53) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25876019 0.83 JAK2 (0.56) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875932 0.81 ROCK2 (0.62) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875948 0.79 JAK2 (0.54) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875900 0.78 EPHX1 (0.60) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875943 0.78 ROCK2 (0.55) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875927 0.78 ROCK2 (0.52) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL22751973 0.78 JAK2 (0.69) JAK2ROCK2JAK3ROCK1IKBKB

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 209/4885JAK3 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.