SCHEMBL3299889

SCHEMBL3299889

FC(F)(F)c1ccc(Nc2nc3ccnc(CC4CCNCC4)n3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
BRD4 O60885 1/20 0.40
MAPK14 Q16539 1/20 0.40
LRRK2 Q5S007 1/20 0.39
JAK2 O60674 5/20 0.39
JAK3 P52333 5/20 0.39
PTK2 Q05397 5/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 1/20 0.38
CDK2 P24941 2/20 0.38
FLT3 P36888 3/20 0.38
SYK P43405 1/20 0.38
CHEK1 O14757 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
ACP1 P24666 1/20 0.36
GSK3B P49841 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
SCHEMBL3304835 0.87 IKBKB (0.38) IKBKBCHUKJAK2JAK3PTK2
SCHEMBL3299849 0.86 SYK (0.41) IKBKBCHUKMAPK14LRRK2JAK2
SCHEMBL3301144 0.86 KCNH2 (0.37) IKBKBCHUKLRRK2JAK2JAK3
SCHEMBL3308010 0.85 JAK2 (0.47) IKBKBCHUKJAK2JAK3PTK2
SCHEMBL3305832 0.83 IKBKB (0.47) IKBKBCHUKJAK2JAK3PTK2
SCHEMBL3304080 0.82 HIF1A (0.45)
SCHEMBL14353746 0.81 PIM1 (0.40) IKBKBCHUKLRRK2JAK2JAK3
SCHEMBL3302909 0.80 KCNH2 (0.44) IKBKBCHUKJAK2JAK3PTK2
SCHEMBL3297696 0.80 JAK2 (0.42) IKBKBCHUKJAK2JAK3PTK2
SCHEMBL3301204 0.80 JAK2 (0.44) IKBKBCHUKJAK2JAK3PTK2

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 2 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-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 IKBKB 221/4885CHUK 68/4885BRD4 596/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IKBKB 221/4885CHUK 68/4885BRD4 596/4885

“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.