SCHEMBL6901248

SCHEMBL6901248

CN(CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
USP30 Q70CQ3 2/20 0.39
AAK1 Q2M2I8 3/20 0.38
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
DGAT1 O75907 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
RBP4 P02753 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ALPL P05186 1/20 0.32
FFAR1 O14842 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
SCHEMBL2146815 0.88 AAK1 (0.38) PDK2AAK1DGAT1PDGFRBKDR
SCHEMBL13642624 0.87 USP30 (0.43) PDK2USP30AAK1BACE1BACE2
SCHEMBL2146390 0.83 PDK2 (0.43) PDK2USP30AAK1BACE1BACE2
SCHEMBL6900352 0.79 SSTR4 (0.44) PDK2AAK1BACE1CACNA1GCACNA1B
SCHEMBL16491254 0.79 DGAT1 (0.56) PDK2USP30AAK1BACE1BACE2
SCHEMBL18759822 0.79 USP30 (0.38) PDK2USP30AAK1BACE1BACE2
SCHEMBL6899662 0.77 USP30 (0.49) USP30
SCHEMBL16015087 0.76 AAK1 (0.52) PDK2USP30AAK1BACE1BACE2
SCHEMBL2389323 0.75 AAK1 (0.47) AAK1DGAT1PDGFRBKDRGSK3A
SCHEMBL16491292 0.75 PDK2 (0.50) PDK2USP30AAK1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
EP-2523954-B1 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4- CARBONITRILE DERIVATIVES AS CATHEPSIN S INHIBITORS MERCK SHARP & DOHME (NL) 2014-04-16 EP disclosed
EP-2523954-B1 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4- CARBONITRILE DERIVATIVES AS CATHEPSIN S INHIBITORS MERCK SHARP & DOHME (NL) 2014-04-16 EP disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO 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 (1 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-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ PDK2 3423/4885USP30 1503/4885AAK1 2097/4885

“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.