SCHEMBL4887936

SCHEMBL4887936

Cc1nc2c3c(ccn2c1C)C(O)CC(c1ccsc1)N3

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
ADORA2B P29275 1/20 0.30

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
SCHEMBL1814676 0.84 CYP3A4 (0.46) CYP3A4CYP2C9
SCHEMBL4885373 0.81 CYP3A4 (0.36) CYP3A4CYP2C9
SCHEMBL4884334 0.80 NR1I2 (0.32)
SCHEMBL1814419 0.78 CYP3A4 (0.35) CYP3A4CYP2C9
SCHEMBL1818094 0.77 CYP3A4 (0.36) CYP3A4CYP2C9
SCHEMBL5838530 0.77 CYP3A4 (0.39) CYP3A4CYP2C9ADORA2B
SCHEMBL6061289 0.76 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL1816294 0.75 CYP3A4 (0.35) CYP3A4CYP2C9
SCHEMBL5838692 0.72 CYP3A4 (0.33) CYP3A4CYP2C9ADORA2B
SCHEMBL7142034 0.65 CYP3A4 (0.38) CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241134-A1 Pharmaceutical combinations of a proton pump inhibitor and a compound which modifies gastrointestinal motility ALTANA PHARMA GA (DE) 2006-10-26 US claimed
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 US claimed
US-20050020637-A1 Agents for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-01-27 US claimed
EP-1453493-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA Pharma AG (DE) 2004-09-08 EP claimed
WO-2003043614-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-05-30 WO claimed
US-20080102133-A1 Oral Pharmaceutical Preparation for Proton Pump Antagonists ALTANA PHARMA AG (DE) 2008-05-01 US disclosed
US-20080050428-A1 Oral Pharmaceutical Preparation Comprising a Proton Pump Antagonist and a Basic Excipient ALTANA PHARMA AG (DE) 2008-02-28 US disclosed
EP-1799211-A1 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXCIPIENT Altana Pharma AG (DE) 2007-06-27 EP disclosed
EP-1799190-A1 ORAL PHARMACEUTICAL PREPARATION FOR PROTON PUMP ANTAGONISTS Altana Pharma AG (DE) 2007-06-27 EP disclosed
US-7141567-B2 Polysubstituted imidazopyridines as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2006-11-28 US disclosed
US-20060241134-A1 Pharmaceutical combinations of a proton pump inhibitor and a compound which modifies gastrointestinal motility ALTANA PHARMA GA (DE) 2006-10-26 US disclosed
US-20060204568-A1 Oral pharmaceutical preparation for proton pump antagonists ALTANA PHARMA AG (DE) 2006-09-14 US disclosed
US-20050020637-A1 Agents for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-01-27 US disclosed
WO-2004105795-A1 PHARMACEUTICAL COMBINATIONS OF A PROTON PUMP INHIBITOR AND A COMPOUND WHICH MODIFIES GASTROINTESTINAL MOTILITY ALTANA PHARMA AG (DE) 2004-12-09 WO disclosed
US-20040214852-A1 Polysubstituted imidazopyridines ALTANA PHARMA AG (DE) 2004-10-28 US disclosed
EP-1453493-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA Pharma AG (DE) 2004-09-08 EP disclosed
US-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2004-06-03 US disclosed
EP-1332143-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA Pharma AG (DE) 2003-08-06 EP disclosed
WO-2003043614-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-05-30 WO disclosed
WO-2002034749-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2002-05-02 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 (2 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-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS GIPR, SLC10A2, VIP CYP3A4 117/4885CYP2C9 821/4885ADORA2B 2082/4885
US-20040214852-A1 Polysubstituted imidazopyridines GIPR, VIP, SLC10A2 CYP3A4 38/4885CYP2C9 438/4885ADORA2B 1105/4885

“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.