SCHEMBL25875964

SCHEMBL25875964

O=C(NCC1CCCCC1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.50
ROCK2 O75116 6/20 0.50
JAK3 P52333 6/20 0.50
IKBKB O14920 5/20 0.50
JAK1 P23458 5/20 0.49
TYK2 P29597 5/20 0.49
ROCK1 Q13464 5/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EPHX1 P07099 2/20 0.44
KDM1A O60341 3/20 0.44
HDAC6 Q9UBN7 2/20 0.43
MAPK14 Q16539 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
RCOR1 Q9UKL0 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL25876019 0.90 JAK2 (0.56) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25875955 0.84 MAOA (0.54) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25875931 0.84 JAK2 (0.49) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25876001 0.83 ROCK2 (0.69) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25875956 0.82 ROCK2 (0.58) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25875967 0.81 CNR1 (0.47) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25876007 0.81 JAK2 (0.58) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25875952 0.80 JAK2 (0.57) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25876014 0.80 KDM1A (0.55) JAK2ROCK2JAK3IKBKBJAK1
SCHEMBL25875900 0.79 EPHX1 (0.60) JAK2ROCK2JAK3IKBKBROCK1

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.