SCHEMBL25876014

SCHEMBL25876014

O=C(NC1CCOCC1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.55
RCOR1 Q9UKL0 1/20 0.52
JAK2 O60674 3/20 0.49
ROCK2 O75116 3/20 0.49
JAK3 P52333 3/20 0.49
IKBKB O14920 2/20 0.49
ANO1 Q5XXA6 1/20 0.46
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
ROCK1 Q13464 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL25875964 0.80 JAK2 (0.50) KDM1ARCOR1JAK2ROCK2JAK3
SCHEMBL25875955 0.80 MAOA (0.54) KDM1AJAK2ROCK2JAK3IKBKB
SCHEMBL25876001 0.78 ROCK2 (0.69) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25875960 0.78 ROCK2 (0.69) KDM1ARCOR1JAK2ROCK2JAK3
SCHEMBL25875956 0.78 ROCK2 (0.58) KDM1AJAK2ROCK2JAK3IKBKB
SCHEMBL25876007 0.76 JAK2 (0.58) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25876019 0.76 JAK2 (0.56) KDM1AJAK2ROCK2JAK3IKBKB
SCHEMBL25875952 0.76 JAK2 (0.57) KDM1AJAK2ROCK2JAK3IKBKB
SCHEMBL25773050 0.76 ROCK2 (0.47) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25773051 0.76 ROCK2 (0.47) JAK2ROCK2JAK3IKBKBJAK1

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 KDM1A 2837/4885RCOR1 1867/4885JAK2 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.