SCHEMBL3303547

SCHEMBL3303547

CC(C)(C)OC(=O)N1CCC(Nc2n[nH]c3cc(Nc4nc5cccc(-c6ccccc6)n5n4)ccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.62
JAK3 P52333 6/20 0.62
PTK2 Q05397 4/20 0.52
CNR1 P21554 1/20 0.48
JAK1 P23458 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
VCP P55072 1/20 0.40
FLT3 P36888 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39

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
SCHEMBL3304580 0.90 JAK2 (0.46) JAK2JAK3PTK2JAK1FLT3
SCHEMBL13390968 0.83 MAPK8 (0.43) JAK2JAK3PTK2JAK1MAPK1
SCHEMBL3302939 0.80 JAK2 (0.71) JAK2JAK3PTK2JAK1
SCHEMBL2640702 0.77 JAK2 (1.00) JAK2JAK3PTK2JAK1ALDH1A1
SCHEMBL3310284 0.76 JAK2 (0.69) JAK2JAK3PTK2JAK1
SCHEMBL29908996 0.74 CNR1 (0.62) CNR1ALDH1A1NPC1MAPTMAPK1
SCHEMBL29908994 0.74 CNR1 (0.62) CNR1ALDH1A1NPC1MAPTMAPK1
SCHEMBL26967728 0.74 CNR1 (0.62) CNR1ALDH1A1NPC1MAPTMAPK1
SCHEMBL13391401 0.73 JAK2 (0.47) JAK2JAK3PTK2JAK1
SCHEMBL17685409 0.73 JAK2 (0.62) JAK2JAK3PTK2JAK1

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 86/4885PTK2 220/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885PTK2 220/4885

“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.