SCHEMBL25875914

SCHEMBL25875914

CN(C)C(=O)c1ccc(NC(=O)c2ccc([C@@H]3C[C@H]3C(=O)Nc3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.53
ROCK2 O75116 2/20 0.53
JAK3 P52333 2/20 0.53
ROCK1 Q13464 2/20 0.53
IKBKB O14920 1/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
HDAC3 O15379 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
SCN3A Q9NY46 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
DEGS1 O15121 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
KDM1A O60341 3/20 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
SCHEMBL25875889 0.89 JAK2 (0.55) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL21845778 0.88 JAK2 (0.68) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875929 0.85 JAK2 (0.49) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875972 0.84 IKBKB (0.48) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25478350 0.80 DEGS1 (0.68) JAK2ROCK2JAK3ROCK1NPC1
SCHEMBL25875923 0.79 ROCK1 (0.55) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875888 0.78 MAOA (0.53) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875908 0.78 NPC1 (0.69) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL22752095 0.77 ROCK2 (0.79) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875930 0.76 ROCK2 (0.53) JAK2ROCK2JAK3ROCK1IKBKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 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 (1 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 JAK2 822/4885ROCK2 209/4885JAK3 995/4885

“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.