SCHEMBL2276285

SCHEMBL2276285

CC1(n2nnc3cnc4[nH]ccc4c32)CCN(S(=O)(=O)c2cccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.50
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
KDM4E B2RXH2 1/20 0.37
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
CHRM5 P08912 1/20 0.36
SLC6A9 P48067 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL12385564 0.84 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL2277963 0.81 JAK1 (0.37) JAK1IKBKBCHUKKDM4EHSD17B10
SCHEMBL2277959 0.80 KDM4E (0.38) KDM4EHSD17B10CHRNB2CHRNA4
SCHEMBL2280947 0.76 JAK1 (0.50) JAK1JAK2JAK3
SCHEMBL2277831 0.75 JAK1 (0.65) JAK1JAK2TYK2JAK3
SCHEMBL12519095 0.74 JAK1 (0.45) JAK1JAK2TYK2JAK3
SCHEMBL12385010 0.73 JAK1 (0.82) JAK1JAK2TYK2JAK3
SCHEMBL2281840 0.71 JAK1 (0.71) JAK1JAK2
SCHEMBL12424324 0.70 KDM4E (0.57) KDM4EHSD17B10
SCHEMBL12385338 0.67 JAK1 (1.00) JAK1JAK2TYK2JAK3

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 9 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
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
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 JAK1 434/4885IKBKB 750/4885CHUK 493/4885

“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.