SCHEMBL2276198

SCHEMBL2276198

O=[N+]([O-])c1cnc2[nH]ccc2c1N(C1CCC(O)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.50
JAK1 P23458 15/20 0.50
TYK2 P29597 5/20 0.50
JAK3 P52333 8/20 0.43
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL2275891 0.96 JAK2 (0.53) JAK2JAK1TYK2JAK3GSK3A
SCHEMBL2295119 0.95 JAK1 (0.47) JAK2JAK1TYK2JAK3GSK3A
SCHEMBL2277190 0.95 JAK1 (0.47) JAK2JAK1TYK2JAK3GSK3A
SCHEMBL14605149 0.87 JAK2 (0.48) JAK2JAK1TYK2JAK3
SCHEMBL2277042 0.85 JAK2 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL2275629 0.85 JAK2 (0.52) JAK2JAK1TYK2JAK3
SCHEMBL2278301 0.85 JAK3 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2273928 0.84 JAK2 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2274147 0.83 JAK2 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL2354230 0.83 JAK2 (0.42) JAK2JAK1TYK2JAK3GSK3A

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 JAK2 122/4885JAK1 434/4885TYK2 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.