SCHEMBL4881228

SCHEMBL4881228

Cc1nc2c(O)cc(-n3ccccc3=O)cn2c1C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.61
CYP2C9 P11712 17/20 0.61
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MPI P34949 1/20 0.41
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4881063 0.84 CYP3A4 (0.65) CYP3A4CYP2C9CYP1A2CYP2D6MCHR1
SCHEMBL4890938 0.84 CYP3A4 (0.61) CYP3A4CYP2C9CYP1A2CYP2D6MCHR1
SCHEMBL14021275 0.84 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6MCHR1
SCHEMBL14021269 0.80 CYP3A4 (0.44) CYP3A4CYP2C9CYP1A2CYP2D6MCHR1
SCHEMBL4888588 0.80 CYP3A4 (0.61) CYP3A4CYP2C9CYP1A2CYP2D6KDM4E
Trifluoroacetic Acid SCHEMBL4878633 0.77 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2D6MCHR1
SCHEMBL4878917 0.77 CYP3A4 (0.77) CYP3A4CYP2C9CYP1A2CYP2D6MCHR1
SCHEMBL14021366 0.77 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL12996941 0.77 CYP3A4 (0.67) CYP3A4CYP2C9CYP1A2CYP2D6MCHR1
SCHEMBL4882282 0.75 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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
US-20100311740-A1 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-12-09 US disclosed
US-20100311740-A1 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-12-09 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
WO-2007003386-A9 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS GLAXO GROUP LTD (GB) 2008-09-18 WO disclosed
EP-1861095-A1 DERIVATIVES OF IMIDAZO(1,2-A)PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2007-12-05 EP disclosed
WO-2007003386-A1 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-01-11 WO disclosed
WO-2006100119-A1 DERIVATIVES OF IMIDAZO (1,2-A) PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2006-09-28 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-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 CYP3A4 215/4885CYP2C9 1357/4885CYP1A2 149/4885
US-20100311740-A1 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS HRH2, GIPR, MLNR CYP3A4 151/4885CYP2C9 585/4885CYP1A2 271/4885

“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.