SCHEMBL3299882

SCHEMBL3299882

FC(F)(F)c1ccc(Nc2nc3ccnc(OC4CCCNC4)n3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.43
JAK2 O60674 3/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
IDH2 P48735 1/20 0.38
JAK1 P23458 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAP3K12 Q12852 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ROCK1 Q13464 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 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
SCHEMBL2145089 0.84 JAK2 (0.45) CHEK1JAK2JAK3PTK2IDH2
SCHEMBL2144367 0.84 JAK2 (0.45) CHEK1JAK2JAK3PTK2IDH2
SCHEMBL2144375 0.84 JAK2 (0.45) CHEK1JAK2JAK3PTK2IDH2
SCHEMBL3304245 0.80 JAK2 (0.45) JAK2JAK3PTK2IDH2JAK1
SCHEMBL3300868 0.79 JAK2 (0.44) JAK2JAK3PTK2JAK1KCNH2
SCHEMBL3300877 0.77 TRPV1 (0.46) JAK2JAK3PTK2
SCHEMBL3303802 0.74 HTR2A (0.43) CHEK1JAK2JAK3PTK2IDH2
SCHEMBL3300452 0.74 IDH2 (0.57) CHEK1JAK2JAK3PTK2IDH2
SCHEMBL3304480 0.74 IDH2 (0.57) CHEK1JAK2JAK3PTK2IDH2
SCHEMBL3299889 0.73 IKBKB (0.44) CHEK1JAK2JAK3PTK2IKBKB

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 CHEK1 44/4885JAK2 26/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CHEK1 44/4885JAK2 26/4885JAK3 86/4885

“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.