SCHEMBL3191507

SCHEMBL3191507

Fc1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(OC(F)(F)F)cc2)C3)c1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.37
HCRTR2 O43614 16/20 0.37
HTR2C P28335 1/20 0.35
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3180975 0.85 GRIN2B (0.37) GRIN2B
SCHEMBL1960953 0.84 HCRTR1 (0.38) HCRTR1HCRTR2HTR2CALDH1A1TSHR
SCHEMBL3187760 0.82 GRIN2B (0.37) GRIN2B
SCHEMBL3542557 0.82 GRIN2B (0.39) GRIN2B
SCHEMBL4057266 0.81 HCRTR1 (0.35) HCRTR1HCRTR2HTR2CGRIN2BALDH1A1
SCHEMBL1959767 0.78 CXCR2 (0.46) ALDH1A1
SCHEMBL1962134 0.77 CXCR2 (0.39) ALDH1A1
SCHEMBL1958382 0.77 CXCR2 (0.38) ALDH1A1
SCHEMBL1961648 0.77 CXCR2 (0.40) ALDH1A1
SCHEMBL1960349 0.77 MEN1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161273-B1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment LEUVEN K U RES & DEV (BE) 2015-04-15 EP claimed
EP-2161273-B1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment LEUVEN K U RES & DEV (BE) 2015-04-15 EP disclosed
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-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
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 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
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 (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-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT CYP3A5, TPMT, ZC3HAV1 HCRTR1 3673/4885HCRTR2 4426/4885HTR2C 1685/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 HCRTR1 3430/4885HCRTR2 4115/4885HTR2C 2270/4885
US-20050222198-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment CYP3A5, TPMT, TYMP HCRTR1 3595/4885HCRTR2 4318/4885HTR2C 1540/4885

“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.