SCHEMBL3304413

SCHEMBL3304413

CNC(=O)c1ccc(Nc2nc3ccnc(CC4CCC(O)C4)n3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.50
JAK2 O60674 5/20 0.41
TYK2 P29597 5/20 0.41
JAK1 P23458 4/20 0.41
SYK P43405 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
SCN9A Q15858 2/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
MET P08581 1/20 0.36

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
SCHEMBL13391499 0.87 CDK2 (0.45) CDK2JAK2JAK1SYKSCN9A
SCHEMBL2144687 0.87 CDK2 (0.45) CDK2JAK2JAK1SYKSCN9A
SCHEMBL3300279 0.79 CDK2 (0.43) CDK2JAK2JAK1SYKMKNK1
SCHEMBL3304827 0.76 CDK2 (0.41) CDK2JAK2JAK1SYKMKNK1
SCHEMBL3303379 0.76 MKNK1 (0.47) CDK2JAK2SYKMKNK1MKNK2
SCHEMBL2144818 0.75 KIT (0.47) CDK2JAK2JAK1SYKSCN9A
SCHEMBL3304376 0.75 JAK2 (0.47) CDK2JAK2JAK1SYK
SCHEMBL3300680 0.74 PTK2 (0.42) CDK2JAK2MKNK1MKNK2SCN9A
SCHEMBL2145389 0.73 JAK2 (0.41) CDK2JAK2JAK1SYKCCNB2
SCHEMBL2144421 0.73 SCN9A (0.43) CDK2JAK2JAK1SYKCCNB2

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 3 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 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

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 CDK2 37/4885JAK2 26/4885TYK2 21/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CDK2 37/4885JAK2 26/4885TYK2 21/4885

“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.