SCHEMBL3304152

SCHEMBL3304152

N[C@H]1CC[C@@H](Nc2cccc3nc(Nc4ccccc4)nn23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.44
CCNT1 O60563 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
CDK2 P24941 11/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
PDGFRA P16234 4/20 0.42
FLT3 P36888 2/20 0.42
SRC P12931 1/20 0.42
GSK3B P49841 3/20 0.41
CDK1 P06493 1/20 0.41
PAK4 O96013 1/20 0.41
CCNE1 P24864 4/20 0.40
PTK2 Q05397 1/20 0.39
ROCK2 O75116 1/20 0.39
MAPK9 P45984 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
SCHEMBL3303618 1.00 MAPKAPK2 (0.44) MAPKAPK2CCNT1CDK4CCND1CDK7
SCHEMBL3303610 1.00 MAPKAPK2 (0.44) MAPKAPK2CCNT1CDK4CCND1CDK7
SCHEMBL2144233 0.88 MAPK8 (0.43) JAK2JAK3FLT3GSK3BPTK2
SCHEMBL2144239 0.88 MAPK8 (0.43) JAK2JAK3FLT3GSK3BPTK2
SCHEMBL2145235 0.88 MAPK8 (0.43) JAK2JAK3FLT3GSK3BPTK2
SCHEMBL2144641 0.86 FLT3 (0.51) MAPKAPK2CDK2JAK2JAK3PDGFRA
SCHEMBL2143939 0.86 FLT3 (0.51) MAPKAPK2CDK2JAK2JAK3PDGFRA
SCHEMBL2143946 0.86 FLT3 (0.51) MAPKAPK2CDK2JAK2JAK3PDGFRA
SCHEMBL3307376 0.86 JAK2 (0.43) CCNT1CDK4CCND1CDK9CDK2
SCHEMBL3301258 0.86 PAK4 (0.48) MAPKAPK2JAK2JAK3PAK4PTK2

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 MAPKAPK2 23/4885CCNT1 415/4885CDK4 85/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPKAPK2 23/4885CCNT1 415/4885CDK4 85/4885

“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.