SCHEMBL3302485

SCHEMBL3302485

CC(Cc1cccc2nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn12)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
RXRA P19793 1/20 0.31
NR4A2 P43354 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
MLYCD O95822 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
SCHEMBL3301458 0.91 PCSK9 (0.32) PCSK9JAK2JAK3
SCHEMBL3301461 0.91 PCSK9 (0.32) PCSK9JAK2JAK3
SCHEMBL3304862 0.85 EGLN2 (0.32) JAK2JAK3HTR2CSLC6A4
SCHEMBL3309496 0.85 PLA2G10 (0.32) PCSK9
SCHEMBL3300872 0.84 EGLN2 (0.32) JAK2JAK3HTR2CSLC6A4
SCHEMBL17685325 0.80 CYP11B2 (0.32)
SCHEMBL3304898 0.79 KMT2A (0.35) JAK2JAK3HTR2CSLC6A4
SCHEMBL3300667 0.78 AHR (0.39) JAK2JAK3
SCHEMBL3304312 0.75 EGLN2 (0.32) JAK2JAK3
SCHEMBL3300315 0.74 JAK2 (0.42) JAK2

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 SLC7A5 3865/4885PCSK9 2154/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SLC7A5 3865/4885PCSK9 2154/4885JAK2 26/4885

“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.