SCHEMBL3302958

SCHEMBL3302958

CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc3nc(Br)nn23)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.50
▸ PARP1 P09874 1/20 0.46
▸ PIM1 P11309 2/20 0.44
▸ PIM2 Q9P1W9 2/20 0.44
▸ PBK Q96KB5 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ ANO1 Q5XXA6 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL2143964 1.00 USP30 (0.50) USP30PARP1PIM1PIM2PBK
SCHEMBL3300486 0.85 KMT2A (0.38) JAK2JAK3
SCHEMBL13504460 0.81 JAK2 (0.51) USP30PARP1PIM1PIM2BTK
SCHEMBL13504459 0.81 JAK2 (0.51) USP30PARP1PIM1PIM2BTK
SCHEMBL31304186 0.78 USP30 (0.52) USP30PARP1PIM1PIM2PBK
SCHEMBL3305295 0.78 JAK2 (0.46) USP30PARP1BTKJAK2JAK3
SCHEMBL3305298 0.78 JAK2 (0.46) USP30PARP1BTKJAK2JAK3
SCHEMBL30941590 0.77 USP30 (0.56) USP30PARP1FPR3FPR2BRD4
SCHEMBL29136112 0.77 USP30 (0.56) USP30PARP1FPR3FPR2BRD4
SCHEMBL3304788 0.76 JAK2 (0.44) USP30PARP1PIM1PIM2FPR3

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 USP30 3251/4885PARP1 710/4885PIM1 1198/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 USP30 3251/4885PARP1 710/4885PIM1 1198/4885

“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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