SCHEMBL22751981

SCHEMBL22751981

CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc([C@@H]3C[C@H]3C(=O)Nc3ccc4cnccc4c3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.51
ROCK2 O75116 14/20 0.51
ROCK1 Q13464 14/20 0.51
JAK3 P52333 12/20 0.51
IKBKB O14920 7/20 0.51
CYP2C9 P11712 1/20 0.48
JAK1 P23458 4/20 0.45
TYK2 P29597 4/20 0.45
ACKR3 P25106 1/20 0.43
PRMT3 O60678 3/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL26455757 1.00 JAK2 (0.51) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22857500 1.00 JAK2 (0.51) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL26455780 0.96 JAK2 (0.52) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752064 0.93 CYP2C9 (0.47) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL26455775 0.92 JAK2 (0.56) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751883 0.88 JAK2 (0.50) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL29728106 0.88 JAK2 (0.66) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL29728116 0.88 JAK2 (0.66) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751957 0.88 JAK2 (0.59) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL26455778 0.87 JAK2 (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 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 (5 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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885ROCK1 278/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885ROCK1 278/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885ROCK1 278/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885ROCK1 278/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885ROCK1 278/4885

“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.