SCHEMBL3223206

SCHEMBL3223206

O=C(NCCN1CCOCC1)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.70
JAK2 O60674 10/20 0.65
ALDH1A1 P00352 1/20 0.57
HTR1A P08908 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
KCNH2 Q12809 1/20 0.57
CD274 Q9NZQ7 1/20 0.57
JAK3 P52333 2/20 0.57
PTK2 Q05397 2/20 0.57
EPHX2 P34913 1/20 0.56

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
SCHEMBL3221128 0.92 JAK1 (0.64) JAK1JAK2CD274JAK3PTK2
SCHEMBL3232916 0.92 JAK1 (0.65) JAK1JAK2JAK3PTK2
SCHEMBL3232827 0.91 JAK1 (0.63) JAK1JAK2JAK3PTK2
SCHEMBL3219295 0.90 JAK2 (0.65) JAK1JAK2ALDH1A1JAK3PTK2
SCHEMBL3228505 0.87 JAK2 (0.65) JAK1JAK2CD274JAK3PTK2
SCHEMBL3221776 0.87 JAK1 (0.64) JAK1JAK2JAK3PTK2
SCHEMBL3224003 0.86 JAK1 (0.62) JAK1JAK2JAK3PTK2
SCHEMBL3229184 0.86 JAK1 (0.62) JAK1JAK2JAK3PTK2
SCHEMBL3221504 0.85 JAK2 (0.67) JAK1JAK2JAK3PTK2
SCHEMBL3215987 0.84 JAK2 (0.58) JAK1JAK2JAK3PTK2

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 JAK1 2/4885JAK2 1/4885ALDH1A1 2375/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885ALDH1A1 2328/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885ALDH1A1 2375/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885ALDH1A1 2375/4885

“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.