SCHEMBL3304732

SCHEMBL3304732

CC1(C)C(=O)Nc2cc(Nc3nc4ccccn4n3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.52
JAK3 P52333 3/20 0.52
SYK P43405 5/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
MARK3 P27448 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
JAK1 P23458 5/20 0.38
LCK P06239 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
LRRK2 Q5S007 2/20 0.36
PTK2 Q05397 1/20 0.35
TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL3299822 0.84 SYK (0.40) JAK2JAK3SYKEIF2AK4MARK3
SCHEMBL2145136 0.81 JAK2 (0.39) JAK2JAK3MARK3PDK2PDK4
SCHEMBL3305581 0.81 JAK2 (0.38) JAK2JAK3MARK3PDK2PDK4
SCHEMBL2144402 0.79 JAK2 (0.37) JAK2JAK3SYKEIF2AK4MARK3
SCHEMBL16395324 0.78 SYK (0.42) JAK2JAK3SYKEIF2AK4MARK3
SCHEMBL2144837 0.77 SYK (0.38) JAK2JAK3SYKEIF2AK4MARK3
SCHEMBL15210720 0.77 SYK (0.51) JAK2JAK3SYKEIF2AK4MARK3
SCHEMBL15210422 0.77 SYK (0.51) JAK2JAK3SYKEIF2AK4MARK3
SCHEMBL3301308 0.76 LCK (0.42) JAK2SYKEIF2AK4MARK3JAK1
SCHEMBL19982819 0.76 SYK (0.51) JAK2JAK3SYKEIF2AK4MARK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 JAK2 26/4885JAK3 86/4885SYK 387/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885SYK 387/4885

“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.