SCHEMBL3229281

SCHEMBL3229281

O=C(O)c1ccc(Nc2nc3c(-c4ccccc4Cl)cccn3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.64
JAK3 P52333 7/20 0.54
AURKA O14965 3/20 0.49
PTK2 Q05397 3/20 0.49
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
AURKB Q96GD4 1/20 0.47
RORC P51449 1/20 0.45

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
SCHEMBL3229522 0.87 JAK2 (0.78) JAK2JAK3AURKAPTK2
SCHEMBL3226193 0.86 JAK2 (0.64) JAK2JAK3AURKAPTK2GSK3A
SCHEMBL3223801 0.86 JAK2 (0.67) JAK2JAK3PTK2RORC
SCHEMBL3212748 0.85 JAK2 (0.76) JAK2JAK3PTK2
SCHEMBL3227913 0.85 JAK2 (0.74) JAK2JAK3PTK2
SCHEMBL3216089 0.83 JAK2 (0.66) JAK2JAK3PTK2
SCHEMBL3227773 0.82 JAK2 (0.65) JAK2JAK3PTK2
SCHEMBL3219743 0.81 JAK2 (0.66) JAK2JAK3PTK2
SCHEMBL3220354 0.81 JAK2 (0.79) JAK2JAK3PTK2
SCHEMBL3213421 0.81 JAK2 (0.76) JAK2JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434732-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2016-09-06 US claimed
US-8609687-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2013-12-17 US claimed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-9434732-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2016-09-06 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-8609687-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2013-12-17 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
WO-2009155551-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 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 (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-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885AURKA 591/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885AURKA 403/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885AURKA 591/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885AURKA 591/4885

“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.