SCHEMBL3303680

SCHEMBL3303680

NC(=O)c1ccc(Nc2nc3cccc(Br)n3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.49
JAK3 P52333 4/20 0.46
PTK2 Q05397 2/20 0.46
JAK1 P23458 2/20 0.44
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
AURKA O14965 5/20 0.42
AURKB Q96GD4 2/20 0.42
AHR P35869 1/20 0.42
CDK4 P11802 2/20 0.41
CDK2 P24941 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL3262347 0.88 JAK2 (0.61) JAK2JAK3PTK2JAK1AURKA
SCHEMBL3262435 0.85 JAK2 (0.55) JAK2JAK3PTK2JAK1AURKA
SCHEMBL2144680 0.85 JAK2 (0.51) JAK2JAK3PTK2JAK1AHR
SCHEMBL7964132 0.84 JAK2 (0.49) JAK2JAK3PTK2JAK1AURKA
SCHEMBL3655545 0.84 JAK2 (0.44) JAK2JAK3PTK2JAK1PDE4B
SCHEMBL2144118 0.82 JAK2 (0.64) JAK2JAK3PTK2JAK1MAPK8
SCHEMBL3263724 0.82 JAK2 (0.45) JAK2JAK3PTK2JAK1AHR
SCHEMBL3261713 0.82 JAK1 (0.64) JAK2JAK3PTK2JAK1
SCHEMBL3301726 0.82 MAPK8 (0.49) JAK2JAK3MAPK8MAPK10AURKA
SCHEMBL7974556 0.81 MEN1 (0.55) JAK2JAK1

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.