SCHEMBL3114802

SCHEMBL3114802

CCNc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)c1N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.55
CTSS P25774 9/20 0.55
KCNH2 Q12809 11/20 0.47
CTSL P07711 3/20 0.46
CTSB P07858 3/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
XDH P47989 1/20 0.43
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL3112612 0.82 CTSK (0.50) CTSKCTSSKCNH2CTSLCTSB
SCHEMBL3106495 0.81 CTSK (0.59) CTSKCTSSKCNH2CTSLCTSB
SCHEMBL27762078 0.76 LMNA (0.43) CTSKCTSSCYP1A2CYP3A4CYP2C9
SCHEMBL4444344 0.71 CTSK (1.00) CTSKCTSSKCNH2CTSLCTSB
SCHEMBL3118138 0.70 CTSS (0.61) CTSKCTSS
SCHEMBL3114437 0.70 CTSK (0.52) CTSKCTSSKCNH2CTSLCTSB
SCHEMBL3108861 0.69 PGK1 (0.41) CTSS
SCHEMBL4970801 0.68 CTSS (0.33) CTSS
SCHEMBL3122345 0.68 CTSK (1.00) CTSKCTSSKCNH2CTSLCTSB
SCHEMBL3114160 0.68 CTSK (0.52) CTSKCTSSKCNH2CTSLCTSB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374838-B 6-phenyl-1h-imidazo[4,5-c]pyridine-4-carbonitrile derivatives as cathepsin K and S inhibitors ORGANON NV 2013-04-03 CN 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
CN-101374838-A 6-phenyl-1h-imidazo[4,5-c]pyridine-4-carbonitrile derivatives as cathepsin k and s inhibitors ORGANON NV (NL) 2009-02-25 CN disclosed
EP-1979351-A1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS N.V. Organon (NL) 2008-10-15 EP 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 CTSK 1/4885CTSS 2/4885KCNH2 1786/4885

“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.