SCHEMBL2274989

SCHEMBL2274989

CCN1CC[C@@H](Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)[C@@H](F)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.39
RORC P51449 2/20 0.38
NAMPT P43490 1/20 0.38
HTR6 P50406 3/20 0.35
JAK2 O60674 8/20 0.34
TYK2 P29597 8/20 0.34
JAK3 P52333 8/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2274994 1.00 JAK1 (0.39) JAK1RORCNAMPTHTR6JAK2
SCHEMBL2286124 0.87 JAK1 (0.41) JAK1RORCNAMPTHTR6JAK2
SCHEMBL2275329 0.85 JAK1 (0.39) JAK1RORCHTR6JAK2TYK2
SCHEMBL2277613 0.83 HTR6 (0.41) JAK1HTR6MAPK1
SCHEMBL2277891 0.83 HTR6 (0.44) HTR6
SCHEMBL2277895 0.83 HTR6 (0.44) HTR6
SCHEMBL2277903 0.83 HTR6 (0.44) HTR6
SCHEMBL2280221 0.82 HTR6 (0.41) JAK1HTR6MAPK1
SCHEMBL2278657 0.80 MAPK1 (0.48) JAK1HTR6MAPK1
SCHEMBL2278662 0.80 MAPK1 (0.48) JAK1HTR6MAPK1

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 434/4885RORC 242/4885NAMPT 1569/4885

“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.