SCHEMBL3304480

SCHEMBL3304480

FC(F)(F)c1ccc(Nc2nc3cccc(N[C@@H]4CCCNC4)n3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.57
PIM1 P11309 1/20 0.48
JAK2 O60674 4/20 0.44
JAK3 P52333 2/20 0.44
PTK2 Q05397 2/20 0.44
MAPKAPK2 P49137 6/20 0.43
CDK2 P24941 4/20 0.43
CHEK1 O14757 4/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
JAK1 P23458 1/20 0.40
CHEK2 O96017 1/20 0.40
MAP3K5 Q99683 1/20 0.40
FLT3 P36888 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
SCHEMBL3300452 1.00 IDH2 (0.57) IDH2PIM1JAK2JAK3PTK2
SCHEMBL3299720 0.89 IDH2 (0.48) IDH2PIM1MAPKAPK2CDK2CHEK1
SCHEMBL3303060 0.89 IDH2 (0.48) IDH2PIM1MAPKAPK2CDK2CHEK1
SCHEMBL14457330 0.88 CTSS (0.52) IDH2PIM1JAK2JAK3PTK2
SCHEMBL3302493 0.88 IDH2 (0.50) IDH2JAK2JAK3MAPKAPK2CDK2
SCHEMBL3304385 0.88 IDH2 (0.50) IDH2JAK2JAK3MAPKAPK2CDK2
SCHEMBL3309511 0.88 IDH2 (0.50) IDH2JAK2JAK3MAPKAPK2CDK2
SCHEMBL13392304 0.86 IDH2 (0.45) IDH2PIM1MAPKAPK2CDK2CTSS
SCHEMBL2144313 0.83 CDK2 (0.47) IDH2JAK2JAK3MAPKAPK2CDK2
SCHEMBL2144308 0.83 CDK2 (0.47) IDH2JAK2JAK3MAPKAPK2CDK2

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 671/4885PIM1 1198/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IDH2 671/4885PIM1 1198/4885JAK2 26/4885

“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.