SCHEMBL13449511

SCHEMBL13449511

CN(C)c1cccc2nc(N)nn12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 6/20 0.51
▸ JAK1 P23458 3/20 0.48
▸ EGLN2 Q96KS0 2/20 0.44
▸ JAK3 P52333 1/20 0.37
▸ BRD4 O60885 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ MET P08581 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ HSP90AB1 P08238 4/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2254013 0.81 NUDT1 (0.47) NUDT1JAK1EGLN2JAK3BRD4
SCHEMBL3300546 0.76 NUDT1 (0.57) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL24656050 0.75 NUDT1 (0.59) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL3098201 0.73 NUDT1 (0.62) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL13465776 0.73 NUDT1 (0.58) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL27038245 0.72 NUDT1 (0.56) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL2773330 0.72 NUDT1 (0.57) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL30927826 0.72 NUDT1 (0.56) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL45713 0.72 NUDT1 (0.56) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL3596030 0.71 NUDT1 (0.51) NUDT1JAK1EGLN2JAK3KDM4E

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-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-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 — — 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 (3 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 NUDT1 3080/4885JAK1 2/4885EGLN2 3771/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NUDT1 3080/4885JAK1 2/4885EGLN2 3771/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NUDT1 3080/4885JAK1 2/4885EGLN2 3771/4885

“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.

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