SCHEMBL22751868

SCHEMBL22751868

CC(C)(C)OC(=O)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.62
▸ ROCK2 O75116 20/20 0.62
▸ ROCK1 Q13464 20/20 0.62
▸ JAK3 P52333 18/20 0.62
▸ IKBKB O14920 12/20 0.62
▸ JAK1 P23458 9/20 0.59
▸ TYK2 P29597 9/20 0.59
▸ STAT5A P42229 1/20 0.46

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
SCHEMBL22752163 1.00 JAK2 (0.62) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22857538 0.90 ROCK2 (0.66) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752025 0.90 ROCK2 (0.66) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL20524973 0.86 JAK2 (0.51) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL20524975 0.86 JAK2 (0.51) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752095 0.85 ROCK2 (0.79) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL20525021 0.85 ROCK2 (0.69) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL20524964 0.85 ROCK2 (0.69) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751950 0.84 ROCK2 (0.71) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL20353563 0.83 ROCK2 (0.69) 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-20230149387-A1 TREATMENTS ALCON INC. (CH) 2023-05-18 — — US disclosed
US-20230149387-A1 TREATMENTS ALCON INC. (CH) 2023-05-18 — — 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 (6 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-20230149387-A1 TREATMENTS EIF2AK2, IFNG, HAVCR2 JAK2 1016/4885ROCK2 4425/4885ROCK1 3979/4885
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.

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