SCHEMBL2274147

SCHEMBL2274147

CC(=O)OC1CCCC(N(c2c([N+](=O)[O-])cnc3[nH]ccc23)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.45
JAK1 P23458 13/20 0.45
TYK2 P29597 5/20 0.45
JAK3 P52333 8/20 0.40
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2294468 0.87 JAK1 (0.38) JAK2JAK1TYK2JAK3ESR1
SCHEMBL2277190 0.86 JAK1 (0.47) JAK2JAK1TYK2JAK3ESR1
SCHEMBL2295119 0.86 JAK1 (0.47) JAK2JAK1TYK2JAK3ESR1
SCHEMBL2276198 0.83 JAK2 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL2275891 0.83 JAK2 (0.53) JAK2JAK1TYK2JAK3
SCHEMBL2275629 0.83 JAK2 (0.52) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2273928 0.82 JAK2 (0.46) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL2297227 0.80 JAK1 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2297921 0.80 JAK1 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2290091 0.80 JAK1 (0.46) JAK2JAK1TYK2JAK3

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.