SCHEMBL1629508

SCHEMBL1629508

CNc1cc(Cl)nc(C#N)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.31
KHK P50053 1/20 0.31
CHEK1 O14757 1/20 0.31
KCNH2 Q12809 1/20 0.31
HSD17B10 Q99714 2/20 0.30
ADORA1 P30542 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3108861 0.82 PGK1 (0.41) KDM4EALDH1A1HPGDKMT2ACHEK1
SCHEMBL21633090 0.77 KDM4E (0.39) ALOX15KDM4EALDH1A1GAAHPGD
SCHEMBL31248906 0.76 KMT2A (0.35) KDM4EALDH1A1GAACYP2D6CYP2C19
SCHEMBL535658 0.76 ALDH1A1 (0.36) ALOX15KDM4EALDH1A1GAACYP3A4
SCHEMBL2767477 0.76 KMT2A (0.35) KDM4EALDH1A1GAACYP2D6CYP2C19
SCHEMBL1630504 0.76 TDP1 (0.35) ALOX15KDM4EGAAKMT2AKHK
SCHEMBL13012600 0.76 ALOX15 (0.33) ALOX15KDM4EALDH1A1GAAHPGD
SCHEMBL1630321 0.73 ALDH1A1 (0.46) ALOX15KDM4EALDH1A1GAAHPGD
SCHEMBL16708968 0.73 HTT (0.35) KDM4EALDH1A1GAAKHK
SCHEMBL29439703 0.73 HTT (0.35) KDM4EALDH1A1GAAKHK

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 29 patents — showing the first 20. 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
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
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-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
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
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-2178873-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS ORGANON NV (NL) 2010-12-22 EP disclosed
EP-2178873-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS ORGANON NV (NL) 2010-12-22 EP disclosed
CN-101842373-A 6-phenyl-1H-imidazo [4,5-c] pyridine-4-6-carbonitrile derivatives as cathepsin inhibitors ORGANON NV 2010-09-22 CN 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
US-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N. V. ORGANON 2009-04-16 US disclosed
US-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N. V. ORGANON 2009-04-16 US disclosed
US-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N. V. ORGANON 2009-04-16 US disclosed
WO-2009010491-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. ORGANON (NL) 2009-01-22 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 (3 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 ALOX15 1810/4885KDM4E 2718/4885ALDH1A1 1748/4885
US-20090099172-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSB ALOX15 1810/4885KDM4E 2718/4885ALDH1A1 1748/4885
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ ALOX15 2051/4885KDM4E 3302/4885ALDH1A1 2236/4885

“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.