SCHEMBL3306749

SCHEMBL3306749

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.35
JAK2 O60674 11/20 0.35
PTK2 Q05397 9/20 0.34
MALT1 Q9UDY8 1/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
NAMPT P43490 1/20 0.32
PIK3CA P42336 1/20 0.31
HTR4 Q13639 1/20 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
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
JAK1 P23458 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
SCHEMBL17685344 0.88 JAK2 (0.40) JAK3JAK2PTK2EGFRBTK
SCHEMBL3301011 0.86 JAK2 (0.36) JAK3JAK2PTK2MAPK1PIK3CA
SCHEMBL3303842 0.86 JAK2 (0.37) JAK3JAK2PTK2MAPK1CDK4
SCHEMBL3303111 0.85 JAK2 (0.35) JAK3JAK2PTK2MAPK1EGFR
SCHEMBL17685383 0.81 JAK2 (0.43) JAK3JAK2PTK2MAPK1JAK1
SCHEMBL17685269 0.81 JAK2 (0.41) JAK3JAK2PTK2JAK1
SCHEMBL17685337 0.80 JAK2 (0.42) JAK3JAK2PTK2EGFRBTK
SCHEMBL3304249 0.80 JAK3 (0.37) JAK3JAK2PTK2NAMPTCDK4
SCHEMBL3302405 0.79 JAK2 (0.41) JAK2PTK2BTKJAK1
SCHEMBL3305874 0.78 JAK2 (0.35) JAK3JAK2PTK2MAPK1HTR4

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.