SCHEMBL3304249

SCHEMBL3304249

CC(C)(C)OC(=O)N1C(=O)C(C)(C)c2ccc(Nc3nc4ccnc(NC5CCC(O)CC5)n4n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.37
JAK2 O60674 9/20 0.37
PTK2 Q05397 9/20 0.37
SYK P43405 5/20 0.33
MAPKAPK2 P49137 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
NAMPT P43490 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL3303842 0.92 JAK2 (0.37) JAK3JAK2PTK2SYKCDK4
SCHEMBL2144689 0.88 JAK2 (0.42) JAK3JAK2PTK2SYK
SCHEMBL2144686 0.88 JAK2 (0.42) JAK3JAK2PTK2SYK
SCHEMBL3301011 0.81 JAK2 (0.36) JAK3JAK2PTK2CDK4CCND1
SCHEMBL17685383 0.80 JAK2 (0.43) JAK3JAK2PTK2
SCHEMBL3303111 0.80 JAK2 (0.35) JAK3JAK2PTK2CDK4CCND1
SCHEMBL3306749 0.80 JAK3 (0.35) JAK3JAK2PTK2CDK4CCND1
SCHEMBL3302942 0.78 SYK (0.42) JAK2SYKMAPKAPK2
SCHEMBL3303570 0.78 JAK2 (0.41) JAK3JAK2PTK2SYK
SCHEMBL3301812 0.77 JAK2 (0.34) JAK3JAK2PTK2CDK4CCND1

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