SCHEMBL3304641

SCHEMBL3304641

CC1(O)CN(c2nccc3nc(Nc4ccc5c(c4)NC(=O)C5(C)C)nn23)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
LCK P06239 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 3/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
GRIA1 P42261 1/20 0.36
JAK2 O60674 10/20 0.35
JAK1 P23458 3/20 0.35
MARK3 P27448 2/20 0.34
SRC P12931 1/20 0.33
GSK3A P49840 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
TNF P01375 1/20 0.33
CAMK1D Q8IU85 1/20 0.33
IGF1R P08069 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL2144721 0.84 JAK2 (0.39) SYKEIF2AK4JAK2JAK1MARK3
SCHEMBL3301308 0.83 LCK (0.42) MAPK14LCKBRAFKDRSYK
SCHEMBL3303709 0.80 SYK (0.41) MAPK14LCKBRAFKDRSYK
SCHEMBL14353738 0.79 SYK (0.38) MAPK14LCKBRAFKDRSYK
SCHEMBL3302942 0.77 SYK (0.42) MAPK14LCKBRAFKDRSYK
SCHEMBL3300617 0.76 JAK2 (0.42) MAPK14LCKBRAFKDRSYK
SCHEMBL2145136 0.76 JAK2 (0.39) MAPK14LCKBRAFKDRJAK2
SCHEMBL3305434 0.76 JAK2 (0.37) MAPK14LCKBRAFKDRSYK
SCHEMBL3302102 0.75 JAK2 (0.47) MAPK14LCKBRAFKDRSYK
SCHEMBL2144553 0.75 JAK2 (0.37) MAPK14LCKBRAFKDRSYK

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 MAPK14 391/4885LCK 59/4885BRAF 151/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPK14 391/4885LCK 59/4885BRAF 151/4885

“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.