SCHEMBL3306753

SCHEMBL3306753

COc1cccc(-c2cccc3nc(Nc4ccc5nnn(C)c5c4)nn23)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.61
JAK3 P52333 8/20 0.58
JAK1 P23458 3/20 0.50
PTK2 Q05397 6/20 0.49
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3309264 0.87 JAK2 (0.48) JAK2JAK3JAK1PTK2
SCHEMBL3203321 0.77 JAK2 (0.81) JAK2JAK3JAK1PTK2
SCHEMBL16248910 0.77 JAK2 (0.68) JAK2JAK3JAK1PTK2
SCHEMBL3203020 0.77 JAK2 (0.67) JAK2JAK3JAK1PTK2
SCHEMBL3203847 0.76 JAK2 (1.00) JAK2JAK3JAK1PTK2
SCHEMBL2144962 0.76 JAK2 (0.66) JAK2JAK3JAK1PTK2
SCHEMBL3205999 0.75 JAK2 (0.64) JAK2JAK3JAK1PTK2
SCHEMBL3305541 0.75 JAK2 (0.45) JAK2JAK3PTK2
SCHEMBL3213038 0.74 JAK2 (0.82) JAK2JAK3JAK1PTK2
SCHEMBL2640413 0.74 JAK2 (1.00) JAK2JAK3JAK1PTK2

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

“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.