SCHEMBL13137673

SCHEMBL13137673

Cn1nc(C(F)(F)F)c2cc(CBr)sc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
GAA P10253 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
CYP1A2 P05177 5/20 0.51
ALDH1A1 P00352 8/20 0.50
HPGD P15428 4/20 0.50
CYP2C19 P33261 3/20 0.50
APOBEC3G Q9HC16 4/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL12000239 0.86 MAPT (0.61) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL1520260 0.85 MAPT (0.60) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL5924831 0.73 NPC1 (0.80) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL1668058 0.71 NPC1 (0.71) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL29559386 0.70 MAPT (0.55) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL5924655 0.65 NPC1 (0.43) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL23657726 0.63 MAPT (0.83) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL12806939 0.62 PIM3 (0.51) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL938913 0.61 MPO (0.41) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL3083301 0.61 PIM3 (0.54) MAPTMEN1KMT2AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US 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-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-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-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 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
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 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 (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 MAPT 4389/4885MEN1 3617/4885KMT2A 2165/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 MAPT 4159/4885MEN1 3448/4885KMT2A 2777/4885
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation TYMP, DPYD, TYMS MAPT 4092/4885MEN1 3483/4885KMT2A 2286/4885

“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.