SCHEMBL22752138

SCHEMBL22752138

O=C(NCc1cccnc1)c1ccc(C2CC2C(=O)Nc2ccc3cnccc3c2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.62
JAK2 O60674 5/20 0.62
JAK3 P52333 5/20 0.62
ROCK1 Q13464 5/20 0.62
IKBKB O14920 3/20 0.57
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NAMPT P43490 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL22751992 1.00 ROCK2 (0.62) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL22857543 1.00 ROCK2 (0.62) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL22752242 0.94 ROCK2 (0.59) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL22752157 0.83 ROCK2 (0.57) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL22752043 0.83 ROCK2 (0.66) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL22752033 0.82 ROCK2 (0.70) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL20525061 0.82 JAK2 (0.73) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL20525060 0.82 JAK2 (0.73) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL22752065 0.82 JAK2 (0.73) ROCK2JAK2JAK3ROCK1IKBKB
SCHEMBL22751949 0.82 JAK2 (0.73) ROCK2JAK2JAK3ROCK1IKBKB

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