SCHEMBL3301327

SCHEMBL3301327

c1cc(N[C@@H]2CCCNC2)n2nc(Nc3ccc4c(c3)CNC4)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.46
MAPKAPK2 P49137 8/20 0.43
CDK2 P24941 6/20 0.43
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
PTK2 Q05397 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
BTK Q06187 3/20 0.39
CHEK2 O96017 1/20 0.38
PRKCZ Q05513 1/20 0.38
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
SYK P43405 1/20 0.37
KCNH2 Q12809 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL3304781 1.00 IDH2 (0.46) IDH2MAPKAPK2CDK2JAK2JAK3
SCHEMBL3302493 0.86 IDH2 (0.50) IDH2MAPKAPK2CDK2JAK2JAK3
SCHEMBL3304385 0.86 IDH2 (0.50) IDH2MAPKAPK2CDK2JAK2JAK3
SCHEMBL3309511 0.86 IDH2 (0.50) IDH2MAPKAPK2CDK2JAK2JAK3
SCHEMBL3303060 0.85 IDH2 (0.48) IDH2MAPKAPK2CDK2CHEK2PRKCZ
SCHEMBL3299720 0.85 IDH2 (0.48) IDH2MAPKAPK2CDK2CHEK2PRKCZ
SCHEMBL3297779 0.85 IDH2 (0.46) IDH2MAPKAPK2CDK2IRAK4CHEK2
SCHEMBL3300452 0.83 IDH2 (0.57) IDH2MAPKAPK2CDK2JAK2JAK3
SCHEMBL3304480 0.83 IDH2 (0.57) IDH2MAPKAPK2CDK2JAK2JAK3
SCHEMBL3303916 0.82 IDH2 (0.47) IDH2MAPKAPK2CDK2JAK2IRAK4

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
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP claimed
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
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 IDH2 671/4885MAPKAPK2 23/4885CDK2 37/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IDH2 671/4885MAPKAPK2 23/4885CDK2 37/4885

“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.