SCHEMBL3301441

SCHEMBL3301441

COC(=O)[C@@H](C)Cc1cccc2nc(NC(=O)OC(C)(C)C)nn12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.46
JAK1 P23458 9/20 0.42
JAK3 P52333 3/20 0.37
IKBKB O14920 1/20 0.37
RIPK2 O43353 1/20 0.37
LCK P06239 1/20 0.37
TYK2 P29597 1/20 0.37
SYK P43405 1/20 0.37
GSK3B P49841 1/20 0.37
PTK2B Q14289 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
ATR Q13535 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTK2 Q05397 1/20 0.34

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
SCHEMBL3301440 1.00 JAK2 (0.46) JAK2JAK1JAK3IKBKBRIPK2
SCHEMBL3303866 0.84 ATR (0.41) JAK2JAK1PCSK9ATR
SCHEMBL3301458 0.80 PCSK9 (0.32) JAK2JAK1JAK3PCSK9PTK2
SCHEMBL3301461 0.80 PCSK9 (0.32) JAK2JAK1JAK3PCSK9PTK2
SCHEMBL13504287 0.80 JAK2 (0.47) JAK2JAK1JAK3PTK2
SCHEMBL30516121 0.76 JAK2 (0.46) JAK2JAK1JAK3IKBKBRIPK2
Trifluoroacetic Acid SCHEMBL3304210 0.74 JAK1 (0.40) JAK2JAK1JAK3EGLN2HSD17B10
SCHEMBL3302640 0.70 JAK2 (0.45) JAK2JAK1JAK3TYK2PTK2
SCHEMBL3302646 0.70 JAK2 (0.45) JAK2JAK1JAK3TYK2PTK2
SCHEMBL2144891 0.68 JAK2 (0.43) JAK2JAK1JAK3TYK2PTK2

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 26/4885JAK1 69/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885JAK3 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.