SCHEMBL2283403

SCHEMBL2283403

CC(C)(C)OC(=O)N1CCC(N(c2c([N+](=O)[O-])cnc3[nH]ccc23)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.43
JAK2 O60674 11/20 0.43
TYK2 P29597 5/20 0.43
JAK3 P52333 4/20 0.43
USP30 Q70CQ3 3/20 0.41
SFRP1 Q8N474 2/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL2276523 0.97 JAK1 (0.46) JAK1JAK2TYK2JAK3SFRP1
SCHEMBL2277381 0.95 JAK1 (0.47) JAK1JAK2TYK2JAK3USP30
SCHEMBL2280324 0.95 JAK1 (0.45) JAK1JAK2TYK2JAK3SFRP1
SCHEMBL2276073 0.95 JAK1 (0.44) JAK1JAK2TYK2JAK3MET
SCHEMBL2277886 0.91 JAK1 (0.43) JAK1JAK2TYK2JAK3USP30
SCHEMBL2277901 0.91 JAK1 (0.43) JAK1JAK2TYK2JAK3USP30
SCHEMBL2274345 0.88 JAK1 (0.46) JAK1JAK2TYK2JAK3USP30
SCHEMBL9959458 0.85 JAK1 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL2275417 0.84 JAK1 (0.48) JAK1JAK2TYK2JAK3
SCHEMBL2276274 0.84 JAK2 (0.51) JAK1JAK2TYK2JAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885JAK2 122/4885TYK2 827/4885

“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.