SCHEMBL3305993

SCHEMBL3305993

FC(F)(F)c1ccc(Nc2nc3cccc(CC4CCC5(CC4)CO5)n3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 10/20 0.39
PTK2 Q05397 10/20 0.39
BMI1 P35226 1/20 0.35
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
BCDIN3D Q7Z5W3 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
SCHEMBL3305999 1.00 JAK2 (0.41) JAK2JAK1JAK3PTK2BMI1
SCHEMBL3302352 0.92 JAK2 (0.39) JAK2JAK1JAK3PTK2BMI1
SCHEMBL17685406 0.90 JAK2 (0.41) JAK2JAK1JAK3PTK2SCN9A
SCHEMBL17690688 0.88 JAK2 (0.41) JAK2JAK1JAK3PTK2BMI1
SCHEMBL2144135 0.86 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL13391951 0.86 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL2144131 0.86 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL2144458 0.86 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL3308010 0.86 JAK2 (0.47) JAK2JAK1JAK3PTK2CTSS
SCHEMBL3301144 0.85 KCNH2 (0.37) JAK2JAK1JAK3PTK2SCN9A

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 26/4885JAK1 69/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885JAK3 86/4885

“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.