SCHEMBL3300877

SCHEMBL3300877

CC(C)(C)OC(=O)N1CCCC(Oc2nccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
MAPT P10636 1/20 0.44
JAK3 P52333 10/20 0.43
JAK2 O60674 9/20 0.43
PTK2 Q05397 9/20 0.43
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SYK P43405 1/20 0.40
CHEK2 O96017 1/20 0.39
PIK3CD O00329 1/20 0.39
EGFR P00533 1/20 0.38
ITK Q08881 1/20 0.38

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
SCHEMBL2144731 0.87 JAK2 (0.49) TRPV1MAPTJAK3JAK2PTK2
SCHEMBL2144736 0.87 JAK2 (0.49) TRPV1MAPTJAK3JAK2PTK2
SCHEMBL3305415 0.81 CHEK2 (0.45) CHEK2PIK3CD
SCHEMBL3304245 0.78 JAK2 (0.45) TRPV1JAK3JAK2PTK2SYK
SCHEMBL3299882 0.77 CHEK1 (0.43) JAK3JAK2PTK2
SCHEMBL3304884 0.77 JAK3 (0.52) TRPV1MAPTJAK3JAK2PTK2
SCHEMBL3299587 0.76 JAK2 (0.42) JAK3JAK2PTK2EGFRITK
SCHEMBL30842586 0.74 CHEK2 (0.54) MAPTHDAC4HDAC6CHEK2
SCHEMBL29280846 0.74 CHEK2 (0.54) MAPTHDAC4HDAC6CHEK2
SCHEMBL29280843 0.74 CHEK2 (0.54) MAPTHDAC4HDAC6CHEK2

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 TRPV1 2261/4885MAPT 1496/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 TRPV1 2261/4885MAPT 1496/4885JAK3 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.