SCHEMBL3116353

SCHEMBL3116353

COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F

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 17/20 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
SCHEMBL3110876 0.89 CTSS (1.00) CTSSCTSK
SCHEMBL1629622 0.83 CTSS (0.80) CTSSCTSK
SCHEMBL1743209 0.82 CTSS (0.75) CTSSCTSK
SCHEMBL1629848 0.81 CTSS (0.71) CTSSCTSK
SCHEMBL1630265 0.80 CTSS (0.75) CTSSCTSK
SCHEMBL1744061 0.79 CTSS (0.73) CTSSCTSK
SCHEMBL1629861 0.78 CTSS (0.71) CTSSCTSK
SCHEMBL1742265 0.78 CTSS (0.68) CTSSCTSK
SCHEMBL1632248 0.77 CTSS (0.72) CTSSCTSK
SCHEMBL3115184 0.77 CTSS (0.63) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979351-B1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS ORGANON NV (NL) 2010-04-07 EP disclosed
EP-1979351-B1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS ORGANON NV (NL) 2010-04-07 EP disclosed
US-7687515-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2010-03-30 US disclosed
US-7687515-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2010-03-30 US disclosed
US-7687515-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2010-03-30 US disclosed
US-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2007-08-02 US disclosed
US-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2007-08-02 US disclosed
US-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2007-08-02 US disclosed
WO-2007080191-A1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS N.V. ORGANON (NL) 2007-07-19 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-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives CTSK, CTSS, CTSZ CTSS 2/4885CTSK 1/4885

“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.