SCHEMBL22752091

SCHEMBL22752091

O=C(NCc1ccc(F)cn1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cnccc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.59
ROCK2 O75116 19/20 0.59
JAK3 P52333 18/20 0.59
ROCK1 Q13464 18/20 0.59
JAK1 P23458 7/20 0.59
TYK2 P29597 7/20 0.59
IKBKB O14920 11/20 0.54

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
SCHEMBL20524963 0.90 ROCK2 (0.61) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL20524962 0.90 ROCK2 (0.61) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL25879015 0.87 JAK2 (0.73) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL25479240 0.86 JAK2 (0.60) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL22752020 0.86 JAK2 (0.60) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL20353562 0.86 JAK2 (0.60) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL22752081 0.85 JAK2 (0.59) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL22752080 0.85 JAK2 (0.59) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL22752145 0.84 JAK2 (0.66) JAK2ROCK2JAK3ROCK1JAK1
SCHEMBL22752063 0.81 ROCK2 (0.63) JAK2ROCK2JAK3ROCK1JAK1

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 JAK2 268/4885ROCK2 219/4885JAK3 653/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885JAK3 653/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885JAK3 653/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885JAK3 653/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK JAK2 268/4885ROCK2 219/4885JAK3 653/4885

“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.