SCHEMBL7964541

SCHEMBL7964541

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)N(C)C)cc4)nn23)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.79
JAK1 P23458 8/20 0.73
JAK3 P52333 8/20 0.68
PTK2 Q05397 6/20 0.68
IKBKB O14920 1/20 0.57
RIPK2 O43353 1/20 0.57
LCK P06239 1/20 0.57
TYK2 P29597 1/20 0.57
SYK P43405 1/20 0.57
GSK3B P49841 1/20 0.57
PTK2B Q14289 1/20 0.57

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
SCHEMBL1422593 0.92 JAK2 (0.76) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3205999 0.90 JAK2 (0.64) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3655773 0.89 JAK2 (0.84) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3210951 0.89 JAK2 (0.61) JAK2JAK1JAK3PTK2
SCHEMBL7977771 0.89 JAK2 (0.84) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3213555 0.89 JAK2 (1.00) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3192928 0.88 JAK2 (0.62) JAK2JAK1JAK3PTK2
SCHEMBL16250512 0.88 JAK2 (0.62) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7977780 0.88 JAK2 (0.82) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3215845 0.88 JAK2 (0.60) JAK2JAK1JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 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 (1 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 1/4885JAK1 2/4885JAK3 3/4885

“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.