SCHEMBL4158769

SCHEMBL4158769

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

nearest known ligand 0.93

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.93
CYP2C9 P11712 20/20 0.93
CYP2D6 P10635 10/20 0.93
CYP2C19 P33261 8/20 0.93
CYP1A2 P05177 7/20 0.93

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
SCHEMBL1815861 0.96 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL29405170 0.96 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7550784 0.95 CYP3A4 (0.98) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1817264 0.91 CYP3A4 (0.90) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7854644 0.90 CYP3A4 (0.88) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7574202 0.90 CYP3A4 (0.78) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1816215 0.89 CYP3A4 (0.86) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4591080 0.88 CYP3A4 (0.84) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4880932 0.88 CYP3A4 (0.84) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4170085 0.88 CYP3A4 (0.83) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP 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
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
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 disclosed
US-20060063797-A1 Process for preparing a substituted imidazopyridine compound ELMAN BJORN 2006-03-23 US disclosed
EP-1073656-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-10-19 EP disclosed
US-6900324-B2 Process for preparing a substituted imidazopyridine compound ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1317455-B9 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
EP-1317455-B1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2004-08-04 EP disclosed
US-20040067252-A1 Novel modified release formulation ASTRAZENECA AB (SE) 2004-04-08 US disclosed
US-20040039013-A1 Process for preparing a substituted imidazopyridine compound ASTRAZENECA AB (SE) 2004-02-26 US disclosed
EP-1361868-A1 NOVEL MODIFIED RELEASE FORMULATION AstraZeneca AB (SE) 2003-11-19 EP disclosed
EP-1317455-A1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002064118-A1 NOVEL MODIFIED RELEASE FORMULATION ASTRAZENECA AB (SE) 2002-08-22 WO disclosed
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 disclosed
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 disclosed
WO-2002020523-A1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2002-03-14 WO disclosed
US-6313136-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 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 (5 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-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-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound NISCH, CYP1A2, CYP1B1 CYP3A4 13/4885CYP2C9 133/4885CYP2D6 23/4885
US-20040039013-A1 Process for preparing a substituted imidazopyridine compound CYP1B1, BRD1, SKP1 CYP3A4 24/4885CYP2C9 261/4885CYP2D6 17/4885
US-20040067252-A1 Novel modified release formulation ABCB11, SLC47A1, LIPA CYP3A4 689/4885CYP2C9 1291/4885CYP2D6 322/4885

“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.