SCHEMBL3304560

SCHEMBL3304560

CNC(=O)c1ccc(Nc2nc3ccnc(NC4CCOCC4)n3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.46
CDK2 P24941 6/20 0.43
PIP5K1C O60331 3/20 0.42
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
JAK2 O60674 5/20 0.41
TBK1 Q9UHD2 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PIK3CA P42336 2/20 0.39
JAK3 P52333 3/20 0.38
JAK1 P23458 2/20 0.38
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
TYK2 P29597 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTK2 Q05397 2/20 0.38

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
SCHEMBL2143969 0.84 SYK (0.44) SYKPIP5K1CKITFLT3JAK2
SCHEMBL3303700 0.79 SCN9A (0.49)
SCHEMBL2145341 0.79 JAK2 (0.41) SYKKITFLT3JAK2TBK1
SCHEMBL3303379 0.77 MKNK1 (0.47) SYKCDK2JAK2MKNK1MKNK2
SCHEMBL2144281 0.75 SYK (0.49) SYKCDK2KITFLT3JAK2
SCHEMBL3302367 0.74 JAK2 (0.43) SYKKITFLT3JAK2JAK3
SCHEMBL2144287 0.73 SYK (0.47) SYKCDK2KITFLT3JAK2
SCHEMBL2144293 0.73 SYK (0.47) SYKCDK2KITFLT3JAK2
SCHEMBL2144871 0.73 SYK (0.47) SYKCDK2KITFLT3JAK2
SCHEMBL14353463 0.73 FLT3 (0.47) CDK2KITFLT3JAK2JAK3

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 SYK 387/4885CDK2 37/4885PIP5K1C 791/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SYK 387/4885CDK2 37/4885PIP5K1C 791/4885

“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.