SCHEMBL25875948

SCHEMBL25875948

O=C(NCc1ccccn1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.54
JAK3 P52333 13/20 0.54
ROCK1 Q13464 12/20 0.54
ROCK2 O75116 12/20 0.54
IKBKB O14920 12/20 0.54
TYK2 P29597 11/20 0.54
JAK1 P23458 10/20 0.54
PRKCD Q05655 1/20 0.51
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
SCN3A Q9NY46 1/20 0.45
STAT5A P42229 1/20 0.45
ACKR3 P25106 1/20 0.45
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL25876007 0.93 JAK2 (0.58) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL25875932 0.91 ROCK2 (0.62) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL25875927 0.87 ROCK2 (0.52) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL25875943 0.84 ROCK2 (0.55) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL22752066 0.84 JAK3 (0.66) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL25876001 0.83 ROCK2 (0.69) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL23134324 0.83 NAMPT (0.48) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL23116440 0.83 NAMPT (0.48) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL20525026 0.83 ROCK2 (0.64) JAK2JAK3ROCK1ROCK2IKBKB
SCHEMBL23116450 0.83 NAMPT (0.48) JAK2JAK3ROCK1ROCK2IKBKB

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 822/4885JAK3 995/4885ROCK1 347/4885

“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.