SCHEMBL4731101

SCHEMBL4731101

Cc1nc2c3c(ccn2c1C)C(=O)[C@H](O)[C@@H](c1ccccc1)O3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
CYP3A4 P08684 5/20 0.34
CYP2C9 P11712 4/20 0.34
MEN1 O00255 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL1815255 1.00 RET (0.36) RETKDRATP4AATP4BCYP3A4
SCHEMBL4981356 0.83 ATP4A (0.35) ATP4AATP4BCYP3A4CYP2C9MEN1
SCHEMBL5557033 0.82 ATP4A (0.34) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL5557163 0.81 ATP4A (0.35) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL6487366 0.81 ATP4A (0.35) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL5652760 0.81 ATP4A (0.32) ATP4AATP4BCYP3A4CYP2C9SMN1; SMN2
SCHEMBL4733704 0.80 L3MBTL1 (0.36) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL4731646 0.79 RET (0.36) RETKDRCYP3A4CYP2C9MEN1
SCHEMBL1816326 0.79 ATP4A (0.40) ATP4AATP4BCYP3A4CYP2C9CYP2D6
SCHEMBL4591400 0.79 ATP4A (0.40) ATP4AATP4BCYP3A4CYP2C9CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008058990-A1 7,7-DISUBSTITUTED PYRANO-[2,3-C]-IMIDAZO-[1,2-A]-PYRIDINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS NYCOMED GMBH (DE) 2008-05-22 WO disclosed
US-20080114020-A1 such as 7,7-Difluoro-2,3-dimethyl-8-hydroxy-9-phenyl-7H-8,9-dihydro-pyrano(2,3-c]imidazo[1,2-a]pyridine; inhibit gastric acid secretion by blockade of the H+/K+-ATPase; reversible proton pump inhibitors (rPPI's) or acid pump antagonists (APA's) bind reversibly to H+/K+-ATPase; gastrointestinal disorders ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
EP-1286999-B1 PYRANO[2,3-c]IMIDAZO[1,2-a]PYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS NYCOMED GMBH (DE) 2007-12-19 EP disclosed
US-6936623-B2 Pyrano[2,3-C]imidazo[-1,2-A]pyridine derivatives for the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2005-08-30 US disclosed
US-20040180920-A1 Pyrano[2,3-C]imidazo[-1,2-A]pyridine derivatives for the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2004-09-16 US disclosed
US-20030100578-A1 Pyrano[2,3-c]imidazo[-1,2-a]pyridine derivatives for the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2003-05-29 US disclosed
EP-1286999-A1 PYRANO[2,3-c]IMIDAZO[1,2-a]PYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA Pharma AG (DE) 2003-03-05 EP disclosed
WO-2001072755-A1 PYRANO[2,3-C]IMIDAZO[-1,2-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA PHARMA AG (DE) 2001-10-04 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 (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-20030100578-A1 Pyrano[2,3-c]imidazo[-1,2-a]pyridine derivatives for the treatment of gastrointestinal disorders ALPI, GIPR, SLC10A2 RET 2278/4885KDR 4865/4885ATP4A 618/4885
US-20080114020-A1 such as 7,7-Difluoro-2,3-dimethyl-8-hydroxy-9-phenyl-7H-8,9-dihydro-pyrano(2,3-c]imidazo[1,2-a]pyridine; inhibit gastric acid secretion by blockade of the H+/K+-ATPase; reversible proton pump inhibitors (rPPI's) or acid pump antagonists (APA's) bind reversibly to H+/K+-ATPase; gastrointestinal disorders ATP6AP1, ATP1A1, ATP1A4 RET 1455/4885KDR 4309/4885ATP4A 5/4885
US-20040180920-A1 Pyrano[2,3-C]imidazo[-1,2-A]pyridine derivatives for the treatment of gastrointestinal disorders ALPI, GIPR, SLC10A2 RET 2354/4885KDR 4865/4885ATP4A 612/4885

“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.