SCHEMBL3303455

SCHEMBL3303455

CC(C)(C)OC(=O)NC1CCC(Nc2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ JAK1 P23458 5/20 0.43
▸ PTK2 Q05397 2/20 0.42
▸ BTK Q06187 3/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ SYK P43405 3/20 0.39
▸ KIT P10721 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAP3K5 Q99683 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
SCHEMBL3303459 1.00 JAK2 (0.45) JAK2JAK3JAK1PTK2BTK
SCHEMBL13504479 0.87 JAK2 (0.44) JAK2JAK3JAK1PTK2SYK
SCHEMBL13504477 0.87 JAK2 (0.44) JAK2JAK3JAK1PTK2SYK
SCHEMBL3302626 0.86 SYK (0.43) JAK2JAK3JAK1PTK2SYK
SCHEMBL3302615 0.86 SYK (0.43) JAK2JAK3JAK1PTK2SYK
SCHEMBL2144890 0.84 KIT (0.51) JAK2JAK3JAK1PTK2SYK
SCHEMBL2144894 0.84 KIT (0.51) JAK2JAK3JAK1PTK2SYK
SCHEMBL2143939 0.84 FLT3 (0.51) JAK2JAK3JAK1PTK2SYK
SCHEMBL2143946 0.84 FLT3 (0.51) JAK2JAK3JAK1PTK2SYK
SCHEMBL2144641 0.84 FLT3 (0.51) JAK2JAK3JAK1PTK2SYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 — — EP disclosed
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 86/4885JAK1 69/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885JAK1 69/4885

“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.

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