SCHEMBL3300076

SCHEMBL3300076

Nc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1N

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.54
JAK3 P52333 10/20 0.54
PTK2 Q05397 8/20 0.54
JAK1 P23458 1/20 0.48
NUDT1 P36639 1/20 0.48

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
SCHEMBL3302337 0.90 JAK2 (0.52) JAK2JAK3PTK2JAK1NUDT1
SCHEMBL17685333 0.86 JAK2 (0.51) JAK2JAK3PTK2JAK1
Hydrochloric Acid SCHEMBL3304448 0.86 JAK2 (0.56) JAK2JAK3PTK2JAK1
SCHEMBL2144831 0.86 JAK2 (0.56) JAK2JAK3PTK2JAK1NUDT1
SCHEMBL2144504 0.86 JAK2 (0.60) JAK2JAK3PTK2JAK1NUDT1
SCHEMBL3304219 0.84 JAK2 (0.52) JAK2JAK3PTK2JAK1
SCHEMBL2144480 0.84 JAK2 (0.64) JAK2JAK3PTK2JAK1NUDT1
SCHEMBL3302684 0.83 JAK2 (0.52) JAK2JAK3PTK2JAK1
SCHEMBL2145251 0.83 JAK2 (0.53) JAK2JAK3PTK2JAK1NUDT1
SCHEMBL14457398 0.82 JAK2 (0.47) JAK2JAK3PTK2JAK1NUDT1

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.