SCHEMBL2146773

SCHEMBL2146773

COC(=O)C(O)CN1CCC(CCOc2ccc(-c3cc4c(nnn4C)c(C#N)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.76
CTSK P43235 13/20 0.62

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
SCHEMBL13584259 1.00 CTSS (0.76) CTSSCTSK
SCHEMBL2146692 0.88 CTSS (0.82) CTSSCTSK
SCHEMBL2147121 0.88 CTSS (0.84) CTSSCTSK
SCHEMBL2146615 0.88 CTSS (0.78) CTSSCTSK
SCHEMBL13584629 0.87 CTSS (0.79) CTSSCTSK
SCHEMBL2146892 0.87 CTSS (0.81) CTSSCTSK
SCHEMBL2146726 0.86 CTSS (1.00) CTSSCTSK
SCHEMBL2146796 0.86 CTSS (0.77) CTSSCTSK
Hydrochloric Acid SCHEMBL13584195 0.86 CTSS (0.99) CTSSCTSK
Hydrochloric Acid SCHEMBL13584440 0.85 CTSS (0.76) CTSSCTSK

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 5 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
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-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD Oss B.V. (NL) 2012-11-21 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
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 CTSS 1/4885CTSK 6/4885

“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.