SCHEMBL3300568

SCHEMBL3300568

c1ccc(Nc2nc3cccc(N[C@@H]4CCNC4)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.48
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
PAK4 O96013 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
HTR6 P50406 3/20 0.39
PRKCI P41743 3/20 0.39
SYK P43405 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKB Q96GD4 1/20 0.39
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
PLK4 O00444 1/20 0.37
PTK2 Q05397 1/20 0.37
MAOB P27338 1/20 0.37
CTSL P07711 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
SCHEMBL3300591 1.00 IDH2 (0.48) IDH2CCNT1CDK9PAK4IRAK4
SCHEMBL3303992 1.00 IDH2 (0.48) IDH2CCNT1CDK9PAK4IRAK4
SCHEMBL3302493 0.93 IDH2 (0.50) IDH2IRAK4JAK2JAK3SYK
SCHEMBL3304385 0.93 IDH2 (0.50) IDH2IRAK4JAK2JAK3SYK
SCHEMBL3309511 0.93 IDH2 (0.50) IDH2IRAK4JAK2JAK3SYK
SCHEMBL3301258 0.93 PAK4 (0.48) IDH2PAK4IRAK4JAK2JAK3
SCHEMBL3303060 0.84 IDH2 (0.48) IDH2CCNT1CDK9PIM1
SCHEMBL3299720 0.84 IDH2 (0.48) IDH2CCNT1CDK9PIM1
SCHEMBL3303916 0.83 IDH2 (0.47) IDH2IRAK4JAK2PRKCISYK
SCHEMBL3297635 0.83 IDH2 (0.47) IDH2IRAK4JAK2PRKCISYK

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 10 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
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-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 671/4885CCNT1 415/4885CDK9 138/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IDH2 671/4885CCNT1 415/4885CDK9 138/4885

“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.