SCHEMBL22751995

SCHEMBL22751995

CN(C)Cc1cccc(NC(=O)c2ccc([C@@H]3C[C@H]3C(=O)Nc3ccc4cnccc4c3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.64
JAK2 O60674 17/20 0.64
ROCK1 Q13464 16/20 0.64
JAK3 P52333 15/20 0.64
IKBKB O14920 10/20 0.64
JAK1 P23458 6/20 0.56
TYK2 P29597 6/20 0.56
LCK P06239 1/20 0.46
ITK Q08881 1/20 0.46
STAT5A P42229 1/20 0.45

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
SCHEMBL22857501 1.00 ROCK2 (0.64) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752062 0.93 ROCK2 (0.61) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752011 0.92 ROCK2 (0.65) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752153 0.92 ROCK2 (0.60) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752024 0.89 ROCK2 (0.67) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22857506 0.89 ROCK2 (0.67) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22857547 0.87 ROCK2 (0.60) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752004 0.87 ROCK2 (0.60) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22751907 0.87 ROCK2 (0.64) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752095 0.87 ROCK2 (0.79) ROCK2JAK2ROCK1JAK3IKBKB

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 5 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-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 ROCK2 219/4885JAK2 268/4885ROCK1 278/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ROCK2 219/4885JAK2 268/4885ROCK1 278/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ROCK2 219/4885JAK2 268/4885ROCK1 278/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ROCK2 219/4885JAK2 268/4885ROCK1 278/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK ROCK2 219/4885JAK2 268/4885ROCK1 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.