SCHEMBL4170085

SCHEMBL4170085

CCc1cccc(C)c1CNc1cc(C(=O)O)cn2c(C)c(C)nc12

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.83
CYP2C9 P11712 20/20 0.83
CYP2D6 P10635 10/20 0.83
CYP2C19 P33261 8/20 0.83
CYP1A2 P05177 7/20 0.83

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
SCHEMBL5258282 0.95 CYP3A4 (0.74) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL3274522 0.93 CYP3A4 (0.74) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4886755 0.91 CYP3A4 (0.82) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1815861 0.91 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL29405170 0.91 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4881786 0.90 CYP3A4 (0.80) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6217390 0.90 CYP3A4 (0.80) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7550784 0.90 CYP3A4 (0.98) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4880932 0.90 CYP3A4 (0.84) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4161190 0.90 CYP3A4 (0.80) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491543-B1 Intermediate compounds for the preparation of imidazo-pyridine derivates ASTRAZENECA AB (SE) 2007-09-05 EP claimed
EP-1491542-B1 Intermediate compounds for the preparation of imidazo-pyridine-derivatives ASTRAZENECA AB (SE) 2007-09-05 EP claimed
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1491543-B1 Intermediate compounds for the preparation of imidazo-pyridine derivates ASTRAZENECA AB (SE) 2007-09-05 EP disclosed
EP-1491542-B1 Intermediate compounds for the preparation of imidazo-pyridine-derivatives ASTRAZENECA AB (SE) 2007-09-05 EP disclosed
US-20060063797-A1 Process for preparing a substituted imidazopyridine compound ELMAN BJORN 2006-03-23 US disclosed
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
WO-2002020523-A1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2002-03-14 WO disclosed
US-20010041709-A1 New compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2001-11-15 US disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
US-6313136-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-1073656-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO disclosed
WO-1999055705-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 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 (4 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-20060063797-A1 Process for preparing a substituted imidazopyridine compound NISCH, CYP1B1, CYP1A2 CYP3A4 8/4885CYP2C9 121/4885CYP2D6 24/4885
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 CYP3A4 215/4885CYP2C9 1357/4885CYP2D6 289/4885
US-20010041709-A1 New compounds, their preparation and use PPARG, PPARD, PPARA CYP3A4 592/4885CYP2C9 947/4885CYP2D6 559/4885
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound NISCH, CYP1A2, CYP1B1 CYP3A4 13/4885CYP2C9 133/4885CYP2D6 23/4885

“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.