SCHEMBL3301204

SCHEMBL3301204

OCc1nccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
JAK3 P52333 5/20 0.44
PTK2 Q05397 5/20 0.44
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.42
SYK P43405 1/20 0.41
MAPK8 P45983 1/20 0.39
GSK3B P49841 4/20 0.39
CDK2 P24941 2/20 0.39
EPHX2 P34913 1/20 0.38
DHODH Q02127 1/20 0.38
GSK3A P49840 3/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
JAK1 P23458 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
SCHEMBL3297696 0.88 JAK2 (0.42) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3302909 0.88 KCNH2 (0.44) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3301541 0.82 MAPK8 (0.41) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3299809 0.82 JAK2 (0.45) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3303085 0.81 JAK2 (0.48) JAK2JAK3PTK2DHODHJAK1
SCHEMBL3306004 0.80 JAK2 (0.46) JAK2JAK3PTK2SYKEPHX2
SCHEMBL3305832 0.80 IKBKB (0.47) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3301172 0.80 JAK2 (0.41) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3302558 0.80 JAK2 (0.40) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3299889 0.80 IKBKB (0.44) JAK2JAK3PTK2KCNH2SCN9A

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.