SCHEMBL3106495

SCHEMBL3106495

N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N)c1N

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.59
CTSS P25774 8/20 0.59
XDH P47989 1/20 0.50
KCNH2 Q12809 10/20 0.49
CTSB P07858 4/20 0.45
CTSL P07711 3/20 0.45
IDO1 P14902 1/20 0.43
ADORA1 P30542 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATR Q13535 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL3114437 0.82 CTSK (0.52) CTSKCTSSXDHKCNH2CTSB
SCHEMBL3114802 0.81 CTSK (0.55) CTSKCTSSXDHKCNH2CTSB
SCHEMBL3121916 0.79 ADORA1 (0.53) ADORA1ADORA2A
SCHEMBL3122345 0.74 CTSK (1.00) CTSKCTSSXDHKCNH2CTSB
SCHEMBL13390342 0.74 CTSS (0.48) CTSKCTSS
SCHEMBL3115184 0.74 CTSS (0.63) CTSKCTSS
SCHEMBL3583832 0.73 KDM4E (0.49) CTSKCTSSXDH
SCHEMBL8896372 0.73 CTSS (0.46) CTSKCTSSXDHKCNH2ADORA1
SCHEMBL9954071 0.73 CTSS (1.00) CTSKCTSSXDHKCNH2CTSB
SCHEMBL12681336 0.73 CTSS (0.56) CTSKCTSSXDHKCNH2CTSB

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 19 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
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-1530470-B9 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 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-7585977-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
EP-1530470-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2009-06-10 EP 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-7399867-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2008-07-15 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
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
EP-1782810-A2 Selective estrogen receptor modulators containing a phenylsulfonyl group Eli Lilly & Company (US) 2007-05-09 EP disclosed
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group ELILILLY AND COMPANY 2006-08-17 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-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives CTSK, CTSS, CTSZ CTSK 1/4885CTSS 2/4885XDH 1414/4885
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group GPER1, ESR2, ESR1 CTSK 3418/4885CTSS 2387/4885XDH 2777/4885

“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.