SCHEMBL14280757

SCHEMBL14280757

COC(=O)C(Cc1ncccc1N)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.46
CTSS P25774 5/20 0.41
CTSK P43235 4/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CYP3A4 P08684 1/20 0.40
SCN9A Q15858 1/20 0.40
TACR1 P25103 1/20 0.40
ACE P12821 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL31250481 0.87 CTSK (0.42) KLK5CTSSCTSKKDM4EALDH1A1
SCHEMBL14280758 0.84 TACR1 (0.46) KLK5CTSSCTSKCYP3A4SCN9A
SCHEMBL13878882 0.82 GSTP1 (0.52) KLK5CTSSCTSKCTSLCTSB
SCHEMBL647288 0.82 KLK5 (0.40) KLK5CTSSCTSKCTSLCTSB
SCHEMBL29039962 0.81 KLK5 (0.49) KLK5CTSSCTSKCTSLCTSB
SCHEMBL28127769 0.81 KLK5 (0.52) KLK5CTSSCTSKCTSLCTSB
SCHEMBL16464697 0.80 HDAC6 (0.60) KLK5CTSSCTSKCTSLCTSB
SCHEMBL16464699 0.80 HDAC6 (0.60) KLK5CTSSCTSKCTSLCTSB
SCHEMBL31250804 0.79 HDAC4 (0.39) KLK5CTSSCTSKCTSLCTSB
SCHEMBL30705546 0.79 TACR1 (0.48) KLK5CTSSCTSKCTSLCTSB

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
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 KLK5 4469/4885CTSS 2114/4885CTSK 2665/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 KLK5 3525/4885CTSS 2636/4885CTSK 3323/4885

“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.