SCHEMBL22752104

SCHEMBL22752104

O=C(Nc1ccc2cnccc2c1)[C@@H]1C[C@H]1c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.68
JAK2 O60674 15/20 0.68
ROCK1 Q13464 15/20 0.68
JAK3 P52333 13/20 0.68
IKBKB O14920 8/20 0.68
JAK1 P23458 5/20 0.68
TYK2 P29597 5/20 0.68
DEGS1 O15121 1/20 0.56
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL20353563 0.92 ROCK2 (0.69) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22751939 0.90 ROCK2 (0.68) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL20524967 0.90 ROCK2 (0.68) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL29728123 0.90 ROCK2 (0.68) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL20525018 0.90 ROCK2 (0.67) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752151 0.90 ROCK2 (0.68) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL25478352 0.89 ROCK2 (0.76) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL12465048 0.89 ROCK2 (0.76) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL3613021 0.89 ROCK2 (0.76) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL2163450 0.89 ROCK2 (0.76) 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.