SCHEMBL25875955

SCHEMBL25875955

O=C(NCc1ccccc1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
KDM1A O60341 2/20 0.54
JAK2 O60674 4/20 0.54
ROCK2 O75116 4/20 0.54
JAK3 P52333 4/20 0.54
JAK1 P23458 3/20 0.54
TYK2 P29597 3/20 0.54
ROCK1 Q13464 3/20 0.54
IKBKB O14920 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.42
DEGS1 O15121 1/20 0.42

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
SCHEMBL25875956 0.92 ROCK2 (0.58) MAOAKDM1AJAK2ROCK2JAK3
SCHEMBL25875952 0.90 JAK2 (0.57) MAOAKDM1AJAK2ROCK2JAK3
SCHEMBL25875953 0.90 JAK2 (0.53) MAOAKDM1AJAK2ROCK2JAK3
SCHEMBL25876762 0.90 ROCK2 (0.66) MAOAKDM1AJAK2ROCK2JAK3
SCHEMBL25876001 0.88 ROCK2 (0.69) MAOAJAK2ROCK2JAK3JAK1
SCHEMBL25876007 0.87 JAK2 (0.58) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25875964 0.84 JAK2 (0.50) KDM1AJAK2ROCK2JAK3JAK1
SCHEMBL25875994 0.84 ROCK2 (0.55) KDM1AJAK2ROCK2JAK3JAK1
SCHEMBL25875990 0.84 ROCK2 (0.59) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25876761 0.84 ROCK2 (0.65) MAOAKDM1AJAK2ROCK2JAK3

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 MAOA 4402/4885KDM1A 2837/4885JAK2 822/4885

“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.