SCHEMBL2276309

SCHEMBL2276309

CC1(O)CCC(n2nnc3c(S(=O)(=O)c4ccccc4)nc4[nH]ccc4c32)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.37
JAK2 O60674 14/20 0.37
JAK3 P52333 10/20 0.37
TYK2 P29597 9/20 0.37
TTK P33981 1/20 0.33
PIK3CA P42336 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL2279110 0.89 JAK1 (0.37) JAK1JAK2JAK3TYK2PIK3CA
SCHEMBL2278372 0.88 PIK3CA (0.40) JAK1JAK2JAK3TYK2PIK3CA
SCHEMBL2273137 0.85 JAK1 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL2278543 0.84 JAK1 (0.41) JAK1JAK2JAK3TYK2PIK3CA
SCHEMBL2226222 0.81 JAK1 (0.37) JAK1JAK2JAK3TYK2PIK3CA
SCHEMBL2276109 0.80 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL2281463 0.78 JAK1 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL2273331 0.77 JAK1 (0.39) JAK1JAK2JAK3TYK2
SCHEMBL2277387 0.77 JAK2 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL2293125 0.74 JAK1 (0.35) JAK1JAK2JAK3TYK2

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 122/4885JAK3 780/4885

“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.