SCHEMBL3302909

SCHEMBL3302909

NCc1nccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.44
JAK2 O60674 3/20 0.42
JAK3 P52333 2/20 0.42
PTK2 Q05397 2/20 0.42
SYK P43405 1/20 0.41
CDK2 P24941 3/20 0.39
GSK3B P49841 2/20 0.39
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
MAPK8 P45983 1/20 0.37
BACE1 P56817 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.35
GSK3A P49840 1/20 0.35
EPHX2 P34913 1/20 0.35
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
PLK1 P53350 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL3297696 0.88 JAK2 (0.42) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3301204 0.88 JAK2 (0.44) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3299809 0.82 JAK2 (0.45) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3308940 0.81 JAK2 (0.45) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3301541 0.80 MAPK8 (0.41) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3301172 0.80 JAK2 (0.41) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3306004 0.80 JAK2 (0.46) JAK2JAK3PTK2SYKEPHX2
SCHEMBL3305832 0.80 IKBKB (0.47) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3299889 0.80 IKBKB (0.44) KCNH2SCN9AJAK2JAK3PTK2
SCHEMBL3304835 0.79 IKBKB (0.38) KCNH2SCN9AJAK2JAK3PTK2

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 4683/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KCNH2 3121/4885SCN9A 4683/4885JAK2 26/4885

“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.