SCHEMBL541829

SCHEMBL541829

ON=Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ACHE P22303 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
APP P05067 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL4880854 1.00 CES2 (0.46) CES2MAPTSMN1; SMN2KDM4EACHE
SCHEMBL5307396 0.81 ALDH1A1 (0.40) MAPTSMN1; SMN2HCAR1APPGRIN2D
SCHEMBL30292169 0.81 ALDH1A1 (0.40) MAPTSMN1; SMN2HCAR1APPGRIN2D
SCHEMBL13548653 0.81 PDE2A (0.42) CES2MAPTSMN1; SMN2KDM4EACHE
SCHEMBL5307395 0.81 ALDH1A1 (0.40) MAPTSMN1; SMN2HCAR1APPGRIN2D
SCHEMBL13707569 0.80 PDE2A (0.45) MAPTSMN1; SMN2KDM4EGRIN2DGRIN3B
SCHEMBL7806209 0.80 HPGD (0.44) MAPTKDM4EHCAR1APPGRIN2D
SCHEMBL1436520 0.80 HPGD (0.44) MAPTSMN1; SMN2HCAR1APPGRIN2D
SCHEMBL4373756 0.80 PDE2A (0.45) MAPTSMN1; SMN2KDM4EGRIN2DGRIN3B
SCHEMBL1436519 0.80 HPGD (0.44) MAPTSMN1; SMN2HCAR1APPGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546254-A1 Imidazo[4,5-C]pyridine compounds and methods of antiviral treatment K.U.Leuven Research & Development (BE) 2013-01-16 EP disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
EP-1706403-B9 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT LEUVEN K U RES & DEV (BE) 2012-07-25 EP disclosed
EP-1706403-B1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT LEUVEN K U RES & DEV (BE) 2012-02-08 EP disclosed
US-7795276-B2 Imiadazo[4,5-c] pyridine compound and method of antiviral treatment GILEAD SCIENCES, INC. (US) 2010-09-14 US disclosed
EP-2161273-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment K.U.Leuven Research & Development (BE) 2010-03-10 EP disclosed
US-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-02-04 US disclosed
US-7648998-B2 5-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine; hepatitis-C-virus K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-01-19 US disclosed
EP-1841765-B1 IMIDAZO[4,5-C]PYRIDINE COMPOUND AND METHOD OF ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2009-03-25 EP disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080188516-A1 IMIADAZO[4,5-C] PYRIDINE COMPOUND AND METHOD OF ANTIVIRAL TREATMENT K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2008-08-07 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
EP-1841765-A2 IMIDAZO[4,5-C]PYRIDINE COMPOUND AND METHOD OF ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2007-10-10 EP disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
US-20060252791-A1 Imidazo[4,5-c]pyridine compound and method of antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 US disclosed
EP-1706403-A2 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT K.U.Leuven Research & Development (BE) 2006-10-04 EP disclosed
WO-2006069193-A2 IMIDAZO[4,5-C]PYRIDINE COMPOUND AND METHOD OF ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-06-29 WO disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 WO disclosed
US-20050222198-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment K.U. LEUVEN RESEARCH & DEVELOPMENT, GERHARD PUERSTINGER AND GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005063744-A2 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2005-07-14 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 (6 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-20080188516-A1 IMIADAZO[4,5-C] PYRIDINE COMPOUND AND METHOD OF ANTIVIRAL TREATMENT MAVS, IRF3, IPO4 CES2 1984/4885MAPT 2199/4885SMN1; SMN2 356/4885
US-20060252791-A1 Imidazo[4,5-c]pyridine compound and method of antiviral treatment MAVS, ZC3HAV1, ZC3HAV1L CES2 1318/4885MAPT 2194/4885SMN1; SMN2 1023/4885
US-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT CYP3A5, TPMT, ZC3HAV1 CES2 515/4885MAPT 4389/4885SMN1; SMN2 2150/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 CES2 1038/4885MAPT 4159/4885SMN1; SMN2 2893/4885
US-20050222198-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment CYP3A5, TPMT, TYMP CES2 484/4885MAPT 4436/4885SMN1; SMN2 1956/4885
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST CES2 1588/4885MAPT 1228/4885SMN1; SMN2 4675/4885

“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.