SCHEMBL5840196

SCHEMBL5840196

Cc1nc2c3c(ccn2c1C)C(=O)CC(c1ccoc1)N3

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ADORA2B P29275 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5045178 0.85 CYP2C9 (0.52) CYP3A4CYP2C9ALDH1A1
SCHEMBL5040717 0.85 CYP2C9 (0.52) CYP3A4CYP2C9ALDH1A1
SCHEMBL5634281 0.78 CYP3A4 (0.41) CYP3A4CYP2C9ALDH1A1GAA
SCHEMBL5839023 0.78 CYP3A4 (0.35) CYP3A4CYP2C9ADORA2BKDM4EALDH1A1
SCHEMBL5634862 0.77 CYP3A4 (0.41) CYP3A4CYP2C9ALDH1A1
SCHEMBL4885373 0.77 CYP3A4 (0.36) CYP3A4CYP2C9
SCHEMBL5747928 0.66 CYP3A4 (0.43) CYP3A4CYP2C9
SCHEMBL1218640 0.66 CYP3A4 (0.43) CYP3A4CYP2C9
SCHEMBL6047154 0.66 CDK4 (0.41) CYP3A4CYP2C9ALDH1A1
SCHEMBL1814134 0.66 CYP3A4 (0.43) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141567-B2 Polysubstituted imidazopyridines as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2006-11-28 US disclosed
US-20060035892-A1 Nitrosated imidazopyridines ATLANTA PHARMA AG (DE) 2006-02-16 US disclosed
US-6869949-B2 Polysubstituted imidazopyridines as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2005-03-22 US disclosed
EP-1504003-A1 NITROSATED IMIDAZOPYRIDINES ALTANA Pharma AG (DE) 2005-02-09 EP disclosed
US-20040214852-A1 Polysubstituted imidazopyridines ALTANA PHARMA AG (DE) 2004-10-28 US disclosed
US-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2004-06-03 US disclosed
WO-2003091253-A1 NITROSATED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed
EP-1332143-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA Pharma AG (DE) 2003-08-06 EP 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 (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-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS GIPR, SLC10A2, VIP CYP3A4 117/4885CYP2C9 821/4885ADORA2B 2082/4885
US-20060035892-A1 Nitrosated imidazopyridines NOS2, NOS1, NOS3 CYP3A4 76/4885CYP2C9 208/4885ADORA2B 1819/4885
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.