SCHEMBL1815861

SCHEMBL1815861

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 1.00
CYP2C9 P11712 20/20 1.00
CYP2D6 P10635 10/20 1.00
CYP2C19 P33261 8/20 1.00
CYP1A2 P05177 7/20 1.00

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
SCHEMBL29405170 1.00 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7550784 0.99 CYP3A4 (0.98) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4158769 0.96 CYP3A4 (0.93) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1817264 0.95 CYP3A4 (0.90) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7854644 0.94 CYP3A4 (0.88) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1816215 0.93 CYP3A4 (0.86) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4591080 0.91 CYP3A4 (0.84) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4880932 0.91 CYP3A4 (0.84) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4170085 0.91 CYP3A4 (0.83) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7853549 0.91 CYP3A4 (0.82) 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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US claimed
WO-2013130407-A1 SMALL MOLECULE INHIBITORS OF P-TYPE ATPASES ELC MANAGEMENT LLC (US) 2013-09-06 WO claimed
US-20130231372-A1 Small Molecule Inhibitors Of P-type ATPases ELC MANAGEMENT LLC 2013-09-05 US claimed
US-20080280944-A1 Imidazo[1,2-A]Pyridine Derivatives For The Treatment Of Silent Gastro-Esophageal Reflux ASTRAZENECA AB (SE) 2008-11-13 US claimed
EP-1974730-A1 Imidazo[1,2-a]pyridine derivatives for use in the treatment of sleep disturbance due to silent gastro-esophageal reflux AstraZeneca AB (SE) 2008-10-01 EP claimed
US-20080118560-A1 Spray congealed 5-amido-7-benzyl(oxy or amino)imidazo[1,2-a]pyridines, at least one each of hydrophilic and hydrophobic matrix formers; antisecretory agents with improved water solubility, bioavailability and pharmacokinetics JUPPO ANNE 2008-05-22 US claimed
US-20080102133-A1 Oral Pharmaceutical Preparation for Proton Pump Antagonists ALTANA PHARMA AG (DE) 2008-05-01 US claimed
US-20080050428-A1 Oral Pharmaceutical Preparation Comprising a Proton Pump Antagonist and a Basic Excipient ALTANA PHARMA AG (DE) 2008-02-28 US claimed
EP-1799190-A1 ORAL PHARMACEUTICAL PREPARATION FOR PROTON PUMP ANTAGONISTS Altana Pharma AG (DE) 2007-06-27 EP claimed
EP-1799211-A1 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXCIPIENT Altana Pharma AG (DE) 2007-06-27 EP claimed
EP-1361868-A1 NOVEL MODIFIED RELEASE FORMULATION AstraZeneca AB (SE) 2003-11-19 EP claimed
WO-2003043614-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-05-30 WO claimed
WO-2002064118-A1 NOVEL MODIFIED RELEASE FORMULATION ASTRAZENECA AB (SE) 2002-08-22 WO claimed
WO-2002060442-A1 NOVEL FORMS OF 2,3-DIMETHYL-8-(2-ETHYL-6-METHYLBENZYLAMINO)-IMIDAZO (1,2-A)PYRIDINE-6-CARBOXAMIDE ASTRAZENECA AB (SE) 2002-08-08 WO claimed
WO-2002060441-A1 NOVEL FORMS OF 2,3-DIMETHYL-8-(2-ETHYL-6-METHYLBENZYLAMINO)-IMIDAZO (1,2-A)PYRIDINE-6-CARBOXAMIDE ASTRAZENECA AB (SE) 2002-08-08 WO claimed
WO-2002060440-A1 NOVEL FORMS OF 2,3-DIMETHYL-8-(2-ETHYL-6-METHYLBENZYLAMINO)-IMIDAZO (1,2-A)PYRIDINE-6-CARBOXAMIDE ASTRAZENECA AB (SE) 2002-08-08 WO claimed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US claimed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP claimed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO claimed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO claimed

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-20080118560-A1 Spray congealed 5-amido-7-benzyl(oxy or amino)imidazo[1,2-a]pyridines, at least one each of hydrophilic and hydrophobic matrix formers; antisecretory agents with improved water solubility, bioavailability and pharmacokinetics ABCB11, SLC7A1, CYP7A1 CYP3A4 157/4885CYP2C9 439/4885CYP2D6 239/4885
US-20130231372-A1 Small Molecule Inhibitors Of P-type ATPases ATP6AP1, ATP5ME, ATP6V1E1 CYP3A4 3000/4885CYP2C9 2610/4885CYP2D6 1715/4885
US-20080280944-A1 Imidazo[1,2-A]Pyridine Derivatives For The Treatment Of Silent Gastro-Esophageal Reflux GIPR, GRPR, HRH2 CYP3A4 255/4885CYP2C9 1059/4885CYP2D6 875/4885
US-20150086497-A1 Skin Lightening Compositions CUTA, TYR, DSG1 CYP3A4 2827/4885CYP2C9 2552/4885CYP2D6 2870/4885

“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.