SCHEMBL20524973

SCHEMBL20524973

CC(C)(C)OC(=O)c1ccc(C2CC2C(=O)Nc2ccc3cnccc3c2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.51
▸ ROCK2 O75116 16/20 0.51
▸ ROCK1 Q13464 16/20 0.51
▸ JAK3 P52333 14/20 0.51
▸ IKBKB O14920 8/20 0.49
▸ JAK1 P23458 5/20 0.49
▸ TYK2 P29597 5/20 0.49
▸ IMPDH2 P12268 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ PRMT3 O60678 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
SCHEMBL20524975 1.00 JAK2 (0.51) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751868 0.86 JAK2 (0.62) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752163 0.86 JAK2 (0.62) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL20524999 0.86 ROCK2 (0.56) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752223 0.86 ROCK2 (0.56) JAK2ROCK2ROCK1JAK3IKBKB
Hydrochloric Acid SCHEMBL20525025 0.85 ROCK2 (0.55) JAK2ROCK2ROCK1JAK3IKBKB
Hydrochloric Acid SCHEMBL20525023 0.85 ROCK2 (0.55) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL20524988 0.85 ROCK2 (0.47) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751942 0.80 ROCK2 (0.55) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752216 0.79 ROCK2 (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 15 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-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-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-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-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
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
EP-3609871-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS Aerie Pharmaceuticals, Inc. (US) 2020-02-19 — — EP disclosed
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2018-11-15 — — US disclosed
WO-2018183911-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2018-10-04 — — WO 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-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-20180327381-A1 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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