SCHEMBL3301541

SCHEMBL3301541

O=C(O)CN(CC(=O)O)Cc1nccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
JAK2 O60674 4/20 0.39
JAK3 P52333 3/20 0.39
PTK2 Q05397 3/20 0.39
GSK3B P49841 4/20 0.37
GSK3A P49840 3/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
AURKA O14965 3/20 0.36
CDK2 P24941 3/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36
CCNA2 P20248 1/20 0.36
PLK1 P53350 1/20 0.36
CCNA1 P78396 1/20 0.36
JAK1 P23458 1/20 0.36
SYK P43405 1/20 0.36
AURKB Q96GD4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL3304671 0.84 JAK2 (0.42) MAPK8JAK2JAK3PTK2JAK1
SCHEMBL3301204 0.82 JAK2 (0.44) MAPK8JAK2JAK3PTK2GSK3B
SCHEMBL3297696 0.82 JAK2 (0.42) MAPK8JAK2JAK3PTK2GSK3B
SCHEMBL3302909 0.80 KCNH2 (0.44) MAPK8JAK2JAK3PTK2GSK3B
SCHEMBL3300216 0.79 KDR (0.38) MAPK8JAK2JAK3PTK2GSK3B
SCHEMBL3302797 0.79 FAAH (0.41) MAPK8JAK2JAK3PTK2IKBKB
SCHEMBL3303757 0.76 KDR (0.41) MAPK8JAK2JAK3PTK2GSK3B
SCHEMBL3301172 0.76 JAK2 (0.41) JAK2JAK3PTK2GSK3BGSK3A
SCHEMBL3299809 0.75 JAK2 (0.45) MAPK8JAK2JAK3PTK2GSK3B
SCHEMBL3304835 0.74 IKBKB (0.38) MAPK8JAK2JAK3PTK2GSK3B

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 MAPK8 189/4885JAK2 26/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPK8 189/4885JAK2 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.