SCHEMBL3303379

SCHEMBL3303379

CNC(=O)c1ccc(Nc2nc3ccnc(Br)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CDK2 P24941 7/20 0.46
JAK2 O60674 3/20 0.46
PTK2 Q05397 7/20 0.42
NEK2 P51955 1/20 0.41
KCNH2 Q12809 1/20 0.41
SYK P43405 1/20 0.40
JAK3 P52333 1/20 0.40
MET P08581 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
SCHEMBL3301726 0.85 MAPK8 (0.49) MKNK1MKNK2CDK2JAK2KCNH2
SCHEMBL2144680 0.83 JAK2 (0.51) MKNK1MKNK2CDK2JAK2PTK2
SCHEMBL3309011 0.79 JAK2 (0.43) MKNK1MKNK2CDK2JAK2PTK2
SCHEMBL3303571 0.77 JAK2 (0.50) CDK2JAK2PTK2JAK3
SCHEMBL3304560 0.77 SYK (0.46) MKNK1MKNK2CDK2JAK2PTK2
SCHEMBL3300680 0.77 PTK2 (0.42) MKNK1MKNK2CDK2JAK2PTK2
SCHEMBL3300544 0.77 JAK2 (0.44) MKNK1MKNK2CDK2JAK2PTK2
SCHEMBL3299809 0.77 JAK2 (0.45) CDK2JAK2PTK2KCNH2SYK
SCHEMBL3304413 0.76 CDK2 (0.50) MKNK1MKNK2CDK2JAK2SYK
SCHEMBL2144911 0.75 JAK2 (0.55) MKNK1MKNK2JAK2PTK2JAK3

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 MKNK1 100/4885MKNK2 50/4885CDK2 37/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MKNK1 100/4885MKNK2 50/4885CDK2 37/4885

“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.