SCHEMBL2296385

SCHEMBL2296385

CC(CC#N)N1CCC(n2c(C3CC(=O)N(C)C3)nc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.57
JAK2 O60674 12/20 0.53
TYK2 P29597 12/20 0.53
JAK3 P52333 11/20 0.53
CYP3A4 P08684 1/20 0.49

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
SCHEMBL2291562 0.87 JAK1 (0.70) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2295594 0.86 JAK1 (0.78) JAK1JAK2
SCHEMBL2291035 0.85 JAK1 (0.62) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2294928 0.84 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL2297355 0.83 JAK1 (0.77) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2295814 0.83 JAK1 (0.58) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2226801 0.81 JAK1 (0.62) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2296595 0.81 JAK1 (0.73) JAK1JAK2
SCHEMBL2295088 0.80 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL2296126 0.80 JAK1 (0.66) JAK1JAK2TYK2JAK3CYP3A4

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
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US 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
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 122/4885TYK2 827/4885

“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.