SCHEMBL2275249

SCHEMBL2275249

CC(C)(C)OC(=O)N1CCC(n2c(C#N)nc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.57
JAK3 P52333 19/20 0.57
JAK2 O60674 19/20 0.57
JAK1 P23458 19/20 0.57
CYP3A4 P08684 1/20 0.51

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
Tetrabuthylammonium SCHEMBL2280132 0.91 JAK1 (0.51) TYK2JAK3JAK2JAK1
SCHEMBL2271626 0.88 JAK2 (0.55) TYK2JAK3JAK2JAK1CYP3A4
SCHEMBL2280497 0.87 JAK2 (0.66) TYK2JAK3JAK2JAK1
SCHEMBL2282018 0.86 JAK1 (0.54) TYK2JAK3JAK2JAK1
SCHEMBL2276234 0.85 JAK1 (0.53) TYK2JAK3JAK2JAK1
SCHEMBL9953265 0.85 JAK1 (0.53) TYK2JAK3JAK2JAK1
SCHEMBL2274555 0.85 JAK1 (0.59) TYK2JAK3JAK2JAK1CYP3A4
SCHEMBL9953293 0.84 JAK1 (0.56) TYK2JAK3JAK2JAK1
SCHEMBL10281493 0.83 JAK1 (0.58) TYK2JAK3JAK2JAK1
SCHEMBL9953753 0.83 JAK1 (0.51) TYK2JAK3JAK2JAK1

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 7 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
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
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
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 TYK2 827/4885JAK3 780/4885JAK2 122/4885

“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.