SCHEMBL2286124

SCHEMBL2286124

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.41
RORC P51449 2/20 0.40
NAMPT P43490 1/20 0.38
HTR6 P50406 3/20 0.37
JAK2 O60674 10/20 0.35
TYK2 P29597 10/20 0.35
JAK3 P52333 10/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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 0.87 JAK1 (0.39) JAK1RORCNAMPTHTR6JAK2
SCHEMBL2274989 0.87 JAK1 (0.39) JAK1RORCNAMPTHTR6JAK2
SCHEMBL2273726 0.84 JAK1 (0.41) JAK1RORCHTR6JAK2TYK2
SCHEMBL2275211 0.82 HTR6 (0.46) HTR6
SCHEMBL2275219 0.82 HTR6 (0.46) HTR6
SCHEMBL2275208 0.82 HTR6 (0.46) HTR6
SCHEMBL2281454 0.79 HTR6 (0.50) JAK1HTR6JAK2TYK2JAK3
SCHEMBL2226200 0.79 HTR6 (0.50) JAK1HTR6JAK2TYK2JAK3
SCHEMBL10281628 0.78 HTR6 (0.48) JAK1HTR6JAK2TYK2JAK3
SCHEMBL25285613 0.77 USP30 (0.44) NAMPTHTR6

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.