SCHEMBL6900352

SCHEMBL6900352

CN(CCOc1ncc(Br)cc1C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.44
PDK2 Q15119 2/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
AAK1 Q2M2I8 2/20 0.36
RBP4 P02753 1/20 0.34
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
RET P07949 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
BACE1 P56817 2/20 0.32
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL2146477 0.86 SSTR4 (0.44) SSTR4PDK2RBP4RET
SCHEMBL13642363 0.85 AAK1 (0.50) SSTR4PDK2CACNA1GCACNA1BCACNA1C
SCHEMBL21513442 0.84 PDK2 (0.40) SSTR4PDK2CACNA1GCACNA1BCACNA1C
SCHEMBL30613829 0.84 PDK2 (0.40) SSTR4PDK2CACNA1GCACNA1BCACNA1C
SCHEMBL2146616 0.81 PDK2 (0.46) PDK2CACNA1GCACNA1BCACNA1CAAK1
SCHEMBL26590183 0.80 PDK2 (0.38) SSTR4PDK2CACNA1GCACNA1BCACNA1C
SCHEMBL29968591 0.80 PDK2 (0.38) SSTR4PDK2CACNA1GCACNA1BCACNA1C
SCHEMBL6901248 0.79 PDK2 (0.40) PDK2CACNA1GCACNA1BCACNA1CAAK1
SCHEMBL20129080 0.77 SSTR4 (0.44) SSTR4AAK1
SCHEMBL29361509 0.75 PDK2 (0.39) SSTR4PDK2CACNA1GCACNA1BCACNA1C

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 6 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
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 SSTR4 2625/4885PDK2 3423/4885CACNA1G 845/4885

“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.