SCHEMBL22751973

SCHEMBL22751973

O=C(NC[C@@H]1CCCNCC1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.69
ROCK2 O75116 19/20 0.69
ROCK1 Q13464 19/20 0.69
JAK3 P52333 17/20 0.69
IKBKB O14920 12/20 0.58
JAK1 P23458 9/20 0.51
TYK2 P29597 9/20 0.51
PRMT3 O60678 1/20 0.46

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
SCHEMBL22752094 0.94 JAK2 (0.75) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751869 0.94 JAK2 (0.75) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22857527 0.94 JAK2 (0.75) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751938 0.94 JAK2 (0.75) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22857549 0.94 JAK2 (0.75) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752014 0.94 JAK2 (0.75) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752112 0.92 JAK2 (0.68) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752239 0.87 JAK2 (0.60) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22751957 0.85 JAK2 (0.59) JAK2ROCK2ROCK1JAK3IKBKB
SCHEMBL22752201 0.84 JAK2 (0.72) 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 4 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-20230149387-A1 TREATMENTS ALCON INC. (CH) 2023-05-18 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 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 (4 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-20230149387-A1 TREATMENTS EIF2AK2, IFNG, HAVCR2 JAK2 1016/4885ROCK2 4425/4885ROCK1 3979/4885
US-12018012-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.