SCHEMBL3301144

SCHEMBL3301144

FC(F)(F)c1ccc(Nc2nc3ccnc(CC4CCC5(CC4)CO5)n3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 1/20 0.37
SYK P43405 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
MAPK8 P45983 1/20 0.35
CDK2 P24941 3/20 0.35
GSK3B P49841 3/20 0.35
JAK2 O60674 3/20 0.35
JAK3 P52333 2/20 0.35
PTK2 Q05397 1/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 1/20 0.35
GSK3A P49840 2/20 0.34
IDH1 O75874 1/20 0.34
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL3299889 0.86 IKBKB (0.44) KCNH2SCN9ASYKIKBKBCHUK
SCHEMBL3305999 0.85 JAK2 (0.41) SCN9AJAK2JAK3PTK2JAK1
SCHEMBL3305993 0.85 JAK2 (0.41) SCN9AJAK2JAK3PTK2JAK1
SCHEMBL3304835 0.85 IKBKB (0.38) KCNH2SCN9ASYKIKBKBCHUK
SCHEMBL14353746 0.85 PIM1 (0.40) KCNH2SCN9ASYKIKBKBCHUK
SCHEMBL3304080 0.81 HIF1A (0.45)
SCHEMBL3301204 0.78 JAK2 (0.44) KCNH2SCN9ASYKIKBKBCHUK
SCHEMBL3297696 0.78 JAK2 (0.42) KCNH2SCN9ASYKIKBKBCHUK
SCHEMBL3302909 0.78 KCNH2 (0.44) KCNH2SCN9ASYKIKBKBCHUK
SCHEMBL3302352 0.77 JAK2 (0.39) SCN9AJAK2JAK3PTK2JAK1

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 KCNH2 3121/4885SCN9A 4683/4885SYK 387/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KCNH2 3121/4885SCN9A 4683/4885SYK 387/4885

“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.