SCHEMBL3207030

SCHEMBL3207030

COc1ccccc1-c1cccc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nn12

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.71
ALK Q9UM73 4/20 0.70
INSR P06213 3/20 0.70
CYP3A4 P08684 1/20 0.70
JAK3 P52333 8/20 0.63
PTK2 Q05397 7/20 0.63
NPM1 P06748 2/20 0.54
JAK1 P23458 1/20 0.54

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
SCHEMBL3213363 0.89 JAK2 (0.61) JAK2ALKINSRCYP3A4JAK3
SCHEMBL3213752 0.87 JAK2 (0.66) JAK2ALKINSRCYP3A4JAK3
SCHEMBL3214328 0.86 JAK2 (0.65) JAK2ALKINSRCYP3A4JAK3
SCHEMBL13449525 0.84 JAK2 (0.63) JAK2ALKINSRCYP3A4JAK3
SCHEMBL3217189 0.83 JAK2 (0.62) JAK2ALKINSRCYP3A4JAK3
SCHEMBL3204510 0.83 JAK2 (0.79) JAK2ALKINSRJAK3PTK2
SCHEMBL3203848 0.83 JAK2 (0.86) JAK2ALKINSRJAK3PTK2
SCHEMBL3200667 0.83 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL2521959 0.82 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL3203847 0.82 JAK2 (1.00) 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 12 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-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-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-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
WO-2009155565-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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885ALK 269/4885INSR 2315/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885ALK 269/4885INSR 2315/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885ALK 269/4885INSR 2315/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885ALK 269/4885INSR 2315/4885

“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.