SCHEMBL25876007

SCHEMBL25876007

O=C(NCc1ccccn1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.58
ROCK2 O75116 8/20 0.58
JAK3 P52333 8/20 0.58
JAK1 P23458 7/20 0.58
TYK2 P29597 7/20 0.58
ROCK1 Q13464 7/20 0.58
IKBKB O14920 7/20 0.53
PRKCD Q05655 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
NAMPT P43490 1/20 0.42
CYP2D6 P10635 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
SCHEMBL25875948 0.93 JAK2 (0.54) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL22752066 0.91 JAK3 (0.66) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25876001 0.91 ROCK2 (0.69) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25875990 0.90 ROCK2 (0.59) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25875955 0.87 MAOA (0.54) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25875994 0.87 ROCK2 (0.55) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25875956 0.87 ROCK2 (0.58) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL25875952 0.85 JAK2 (0.57) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL20524963 0.84 ROCK2 (0.61) JAK2ROCK2JAK3JAK1TYK2
SCHEMBL20524962 0.84 ROCK2 (0.61) JAK2ROCK2JAK3JAK1TYK2

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.