SCHEMBL3305141

SCHEMBL3305141

COc1cc(C(C)(O)c2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)ccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.44
JAK3 P52333 8/20 0.44
PTK2 Q05397 8/20 0.44
GSK3B P49841 3/20 0.39
CDK2 P24941 2/20 0.39
JAK1 P23458 1/20 0.38
GAK O14976 1/20 0.36
PLK1 P53350 1/20 0.36
SYK P43405 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL3299761 0.87 JAK2 (0.40) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3301300 0.79 JAK2 (0.45) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3307160 0.79 JAK2 (0.44) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3309116 0.79 JAK2 (0.44) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3304763 0.78 JAK2 (0.44) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3300190 0.78 JAK2 (0.43) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3303987 0.75 JAK2 (0.41) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3304752 0.75 NR2E1 (0.41) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3302979 0.74 JAK2 (0.40) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL3309436 0.73 JAK2 (0.39) JAK2JAK3PTK2GSK3BCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885PTK2 220/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885PTK2 220/4885

“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.