SCHEMBL3200835

SCHEMBL3200835

CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.71
PTK2 Q05397 11/20 0.71
JAK3 P52333 11/20 0.71
BRD4 O60885 2/20 0.62
AXL P30530 2/20 0.62
MERTK Q12866 2/20 0.62
BMPR1B O00238 1/20 0.62
PLK4 O00444 1/20 0.62
STK25 O00506 1/20 0.62
CIT O14578 1/20 0.62
RIOK3 O14730 1/20 0.62
CHEK1 O14757 1/20 0.62
IKBKB O14920 1/20 0.62
CASK O14936 1/20 0.62
AURKA O14965 1/20 0.62
GAK O14976 1/20 0.62
DCLK1 O15075 1/20 0.62
CHUK O15111 1/20 0.62
MUSK O15146 1/20 0.62
EPHB6 O15197 1/20 0.62

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
SCHEMBL3192919 0.93 JAK2 (0.61) JAK2PTK2JAK3BRD4AXL
SCHEMBL13072927 0.90 JAK2 (0.84) JAK2PTK2JAK3
SCHEMBL531322 0.87 JAK2 (0.69) JAK2PTK2JAK3BRD4AXL
SCHEMBL3200284 0.87 JAK2 (0.52) JAK2PTK2JAK3BRD4AXL
SCHEMBL13072954 0.85 JAK2 (0.65) JAK2PTK2JAK3BRD4AXL
SCHEMBL13073007 0.84 JAK2 (0.75) JAK2PTK2JAK3BRD4PDGFRB
SCHEMBL13032449 0.84 JAK2 (0.81) JAK2PTK2JAK3AXLABL1
SCHEMBL2634391 0.83 JAK2 (1.00) JAK2PTK2JAK3
SCHEMBL13032297 0.83 JAK2 (0.80) JAK2PTK2JAK3AXLYES1
SCHEMBL13276106 0.83 JAK2 (0.75) JAK2PTK2JAK3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US claimed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US 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 (4 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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885PTK2 312/4885JAK3 3/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885PTK2 312/4885JAK3 3/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885PTK2 312/4885JAK3 3/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885PTK2 312/4885JAK3 3/4885

“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.