SCHEMBL2278249

SCHEMBL2278249

CC(=O)OCc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.43
JAK2 O60674 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 3/20 0.38
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2279643 0.91 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2278455 0.89 JAK1 (0.44) JAK1JAK2SMN1; SMN2HTR6TYK2
SCHEMBL2278047 0.88 JAK2 (0.44) JAK1JAK2SMN1; SMN2HTR6TYK2
SCHEMBL2277746 0.88 JAK1 (0.45) JAK1JAK2SMN1; SMN2HTR6TYK2
SCHEMBL2274085 0.88 JAK1 (0.44) JAK1JAK2SMN1; SMN2HTR6TYK2
SCHEMBL2275951 0.88 JAK1 (0.40) JAK1JAK2TYK2JAK3
SCHEMBL2224293 0.87 JAK1 (0.46) JAK1JAK2HTR6TYK2JAK3
SCHEMBL2276322 0.86 JAK1 (0.45) JAK1JAK2SMN1; SMN2HTR6TYK2
SCHEMBL12384871 0.86 JAK1 (0.43) JAK1JAK2SMN1; SMN2HTR6TYK2
SCHEMBL12384876 0.86 JAK1 (0.46) JAK1JAK2SMN1; SMN2HTR6TYK2

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 122/4885SMN1; SMN2 4086/4885

“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.