SCHEMBL1744059

SCHEMBL1744059

CN(C)C(=O)CN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 1.00
CTSK P43235 16/20 1.00

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
SCHEMBL13642537 0.91 CTSS (0.84) CTSSCTSK
SCHEMBL2146726 0.90 CTSS (1.00) CTSSCTSK
SCHEMBL7905986 0.90 CTSS (0.85) CTSSCTSK
Hydrochloric Acid SCHEMBL13584195 0.90 CTSS (0.99) CTSSCTSK
SCHEMBL2384127 0.89 CTSS (0.81) CTSSCTSK
SCHEMBL1632583 0.88 CTSS (0.86) CTSSCTSK
SCHEMBL1742254 0.88 CTSS (0.81) CTSSCTSK
Trifluoroacetic Acid SCHEMBL1629845 0.88 CTSS (0.79) CTSSCTSK
SCHEMBL1741749 0.88 CTSS (0.84) CTSSCTSK
SCHEMBL2385347 0.88 CTSS (0.88) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387573-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS ORGANON BIOSCIENCES NEDERLAND B V (NL) 2013-07-31 EP claimed
EP-2387573-A1 6-PHENYL-LH-IMIDAZO Ý4, 5-C¨PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. Organon (NL) 2011-11-23 EP claimed
US-20110253004-A1 RAILCAR PRIMARY SUSPENSION KAWASAKI JUKOGYO KABUSHIKI KAISHA (JP) 2011-10-20 US claimed
US-8026236-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-09-27 US claimed
US-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON 2010-07-22 US claimed
WO-2010081859-A1 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. ORGANON (NL) 2010-07-22 WO claimed
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-2387573-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS ORGANON BIOSCIENCES NEDERLAND B V (NL) 2013-07-31 EP disclosed
EP-2387573-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS ORGANON BIOSCIENCES NEDERLAND B V (NL) 2013-07-31 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
EP-2387573-A1 6-PHENYL-LH-IMIDAZO Ý4, 5-C¨PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. Organon (NL) 2011-11-23 EP disclosed
US-20110253004-A1 RAILCAR PRIMARY SUSPENSION KAWASAKI JUKOGYO KABUSHIKI KAISHA (JP) 2011-10-20 US disclosed
US-8026236-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-09-27 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
US-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON 2010-07-22 US disclosed
US-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON 2010-07-22 US disclosed
US-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON 2010-07-22 US disclosed
WO-2010081859-A1 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. ORGANON (NL) 2010-07-22 WO disclosed
WO-2010081859-A1 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. ORGANON (NL) 2010-07-22 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 (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-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSB CTSS 1/4885CTSK 6/4885
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.