SCHEMBL3224029

SCHEMBL3224029

COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.62
JAK3 P52333 8/20 0.62
PTK2 Q05397 6/20 0.62
JAK1 P23458 6/20 0.51
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL3223321 0.92 JAK2 (0.72) JAK2JAK3PTK2JAK1
SCHEMBL3226046 0.92 JAK2 (0.61) JAK2JAK3PTK2JAK1
SCHEMBL3224332 0.91 JAK2 (0.71) JAK2JAK3PTK2JAK1
SCHEMBL3221651 0.90 JAK2 (0.51) JAK2JAK3PTK2JAK1
SCHEMBL3219317 0.89 JAK2 (0.55) JAK2JAK3PTK2JAK1
SCHEMBL3226655 0.87 JAK2 (0.54) JAK2JAK3PTK2JAK1
SCHEMBL3231472 0.87 JAK2 (0.54) JAK2JAK1
SCHEMBL13535788 0.86 JAK2 (0.75) JAK2JAK3PTK2JAK1
SCHEMBL3229074 0.86 JAK2 (0.66) JAK2JAK3PTK2
SCHEMBL3231869 0.85 JAK2 (0.57) JAK2JAK3PTK2JAK1

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 3/4885PTK2 312/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885PTK2 386/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PTK2 312/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PTK2 312/4885

“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.