SCHEMBL3300889

SCHEMBL3300889

CC(C)(C)C(=O)Nc1cc(Nc2nc3cccc(-c4ccccc4)n3n2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.54
JAK3 P52333 5/20 0.50
PTK2 Q05397 3/20 0.49
JAK1 P23458 2/20 0.48
BRAF P15056 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL17685350 0.89 JAK2 (0.47) JAK2JAK3PTK2JAK1BRAF
SCHEMBL2145198 0.80 JAK2 (0.56) JAK2JAK3PTK2JAK1
SCHEMBL13390961 0.79 JAK2 (0.52) JAK2JAK3PTK2JAK1
SCHEMBL13391149 0.79 JAK2 (0.59) JAK2JAK3PTK2JAK1
SCHEMBL3304981 0.79 JAK2 (0.59) JAK2JAK3PTK2JAK1
SCHEMBL3213690 0.77 JAK2 (0.76) JAK2JAK3PTK2JAK1
SCHEMBL2144321 0.76 JAK2 (0.59) JAK2JAK3PTK2JAK1
SCHEMBL2144095 0.75 JAK2 (0.58) JAK2JAK3PTK2JAK1
SCHEMBL2144480 0.75 JAK2 (0.64) JAK2JAK3PTK2JAK1
SCHEMBL16353216 0.74 JAK2 (0.80) JAK2JAK3PTK2JAK1

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 86/4885PTK2 220/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885PTK2 220/4885

“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.