SCHEMBL3306004

SCHEMBL3306004

FC(F)(F)c1ccc(Nc2nc3ccnc(CN4CCOCC4)n3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.46
JAK3 P52333 6/20 0.46
PTK2 Q05397 6/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
HIF1A Q16665 6/20 0.44
EPAS1 Q99814 6/20 0.44
TRPV1 Q8NER1 1/20 0.43
SYK P43405 1/20 0.42
PLK4 O00444 1/20 0.40
SLC2A1 P11166 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL3305832 0.88 IKBKB (0.47) JAK2JAK3PTK2TRPV1SYK
SCHEMBL2143973 0.84 JAK2 (0.51) JAK2JAK3PTK2ABL1BCR
SCHEMBL3302797 0.84 FAAH (0.41) JAK2JAK3PTK2HIF1AEPAS1
SCHEMBL3303365 0.82 SCN9A (0.44) JAK2JAK3PTK2
SCHEMBL3297696 0.80 JAK2 (0.42) JAK2JAK3PTK2SYKEPHX2
SCHEMBL3301204 0.80 JAK2 (0.44) JAK2JAK3PTK2SYKEPHX2
SCHEMBL3302909 0.80 KCNH2 (0.44) JAK2JAK3PTK2SYKEPHX2
SCHEMBL3304884 0.80 JAK3 (0.52) JAK2JAK3PTK2TRPV1SYK
SCHEMBL3303425 0.79 IKBKB (0.41) JAK2JAK3PTK2SYK
SCHEMBL3304080 0.78 HIF1A (0.45) HIF1AEPAS1TRPV1

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-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.