SCHEMBL3301011

SCHEMBL3301011

CC(C)(C)OC(=O)N1C(=O)C(C)(C)c2ccc(Nc3nc4ccnc(C(=O)C5CCOCC5)n4n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.36
JAK3 P52333 5/20 0.36
PTK2 Q05397 4/20 0.35
MAPK1 P28482 1/20 0.32
MAPK8 P45983 2/20 0.31
MAPK10 P53779 2/20 0.31
MAPK14 Q16539 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
JAK1 P23458 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CD O00329 1/20 0.30
PIP5K1B O14986 1/20 0.30
PIP5K1C O60331 1/20 0.30
PDGFRB P09619 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL17685269 0.88 JAK2 (0.41) JAK2JAK3PTK2JAK1
SCHEMBL3303842 0.87 JAK2 (0.37) JAK2JAK3PTK2MAPK1CDK4
SCHEMBL3303111 0.86 JAK2 (0.35) JAK2JAK3PTK2MAPK1CDK4
SCHEMBL3306749 0.86 JAK3 (0.35) JAK2JAK3PTK2MAPK1CDK4
SCHEMBL17685383 0.83 JAK2 (0.43) JAK2JAK3PTK2MAPK1JAK1
SCHEMBL17685344 0.81 JAK2 (0.40) JAK2JAK3PTK2JAK1
SCHEMBL17685337 0.81 JAK2 (0.42) JAK2JAK3PTK2JAK1
SCHEMBL3304249 0.81 JAK3 (0.37) JAK2JAK3PTK2CDK4CCND1
SCHEMBL3303570 0.77 JAK2 (0.41) JAK2JAK3PTK2JAK1
SCHEMBL3299774 0.77 JAK2 (0.36) JAK2JAK3PTK2JAK1HTR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.