SCHEMBL3299764

SCHEMBL3299764

Nc1n[nH]c2cc(Nc3nc4cccc(N[C@H]5CCCNC5)n4n3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.42
CDK2 P24941 8/20 0.42
MAPKAPK2 P49137 4/20 0.42
HTR6 P50406 4/20 0.39
ULK1 O75385 1/20 0.38
ITK Q08881 1/20 0.38
CCNK O75909 5/20 0.37
CDK12 Q9NYV4 5/20 0.37
CCNT1 O60563 4/20 0.37
CCNE1 P24864 4/20 0.37
CDK9 P50750 4/20 0.37
PRKCZ Q05513 2/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CDK7 P50613 2/20 0.37
CCNH P51946 2/20 0.37
MNAT1 P51948 2/20 0.37
AURKB Q96GD4 2/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
TGFBR1 P36897 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
SCHEMBL3301321 1.00 IDH2 (0.42) IDH2CDK2MAPKAPK2HTR6ULK1
SCHEMBL2144880 0.85 PDPK1 (0.39) ITKAURKBAURKAPDPK1TGFBR1
SCHEMBL2144874 0.85 PDPK1 (0.39) ITKAURKBAURKAPDPK1TGFBR1
SCHEMBL3302360 0.84 CDC7 (0.47) IDH2CDK2MAPKAPK2CCNKCDK12
SCHEMBL3300860 0.84 CDC7 (0.47) IDH2CDK2MAPKAPK2CCNKCDK12
SCHEMBL3297948 0.83 IDH2 (0.43) IDH2CDK2MAPKAPK2HTR6PRKCZ
SCHEMBL3303394 0.83 IDH2 (0.43) IDH2CDK2MAPKAPK2HTR6PRKCZ
SCHEMBL3302493 0.82 IDH2 (0.50) IDH2CDK2MAPKAPK2PRKCZPRKD2
SCHEMBL3304385 0.82 IDH2 (0.50) IDH2CDK2MAPKAPK2PRKCZPRKD2
SCHEMBL3309511 0.82 IDH2 (0.50) IDH2CDK2MAPKAPK2PRKCZPRKD2

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 15 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
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
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO 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 671/4885CDK2 37/4885MAPKAPK2 23/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IDH2 671/4885CDK2 37/4885MAPKAPK2 23/4885

“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.