SCHEMBL3304591

SCHEMBL3304591

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2ccnc(CO)n2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
AAK1 Q2M2I8 1/20 0.31
SYK P43405 1/20 0.31
ACHE P22303 2/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL3309496 0.85 PLA2G10 (0.32) SSTR4
SCHEMBL3302386 0.84 SSTR4 (0.37) SSTR4AAK1SYK
SCHEMBL3304862 0.82 EGLN2 (0.32) HTR2CSLC6A4
SCHEMBL3304105 0.80 SYK (0.30) SSTR4SYK
SCHEMBL3300872 0.76 EGLN2 (0.32) HTR2CSLC6A4
SCHEMBL3304898 0.75 KMT2A (0.35) HTR2CSLC6A4
SCHEMBL3300667 0.74 AHR (0.39) SSTR4
SCHEMBL3302485 0.73 SLC7A5 (0.32) HTR2CSLC6A4
SCHEMBL17685325 0.72 CYP11B2 (0.32)
SCHEMBL3304312 0.71 EGLN2 (0.32)

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 SSTR4 4680/4885AAK1 89/4885SYK 387/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SSTR4 4680/4885AAK1 89/4885SYK 387/4885

“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.