SCHEMBL3301258

SCHEMBL3301258

c1ccc(Nc2nc3cccc(NC4CCNCC4)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.48
JAK2 O60674 3/20 0.43
JAK3 P52333 3/20 0.43
CTSL P07711 5/20 0.43
CTSB P07858 5/20 0.43
CTSS P25774 5/20 0.43
CTSK P43235 5/20 0.43
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
IDH2 P48735 1/20 0.40
PTK2 Q05397 1/20 0.40
ROCK1 Q13464 1/20 0.40
KHK P50053 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
CSNK2A1 P68400 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
APP P05067 1/20 0.39
HTR6 P50406 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
SCHEMBL3300591 0.93 IDH2 (0.48) PAK4JAK2JAK3CTSLCTSB
SCHEMBL3303992 0.93 IDH2 (0.48) PAK4JAK2JAK3CTSLCTSB
SCHEMBL3300568 0.93 IDH2 (0.48) PAK4JAK2JAK3CTSLCTSB
SCHEMBL3302493 0.86 IDH2 (0.50) JAK2JAK3IDH2IRAK4MAPKAPK2
SCHEMBL3304385 0.86 IDH2 (0.50) JAK2JAK3IDH2IRAK4MAPKAPK2
SCHEMBL3309511 0.86 IDH2 (0.50) JAK2JAK3IDH2IRAK4MAPKAPK2
SCHEMBL3304152 0.86 MAPKAPK2 (0.44) PAK4JAK2JAK3PTK2MAPKAPK2
SCHEMBL3307376 0.86 JAK2 (0.43) JAK2JAK3KMT2APTK2JAK1
SCHEMBL3303610 0.86 MAPKAPK2 (0.44) PAK4JAK2JAK3PTK2MAPKAPK2
SCHEMBL2144233 0.86 MAPK8 (0.43) 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 13 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 claimed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US claimed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US claimed
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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US 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-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 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
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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 PAK4 518/4885JAK2 26/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 PAK4 518/4885JAK2 26/4885JAK3 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.