SCHEMBL4886747

SCHEMBL4886747

COc1ccc(COc2cc(-n3ccccc3=O)cn3c(C)c(C)nc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.71
CYP2C9 P11712 11/20 0.71
MCHR1 Q99705 5/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GRM5 P41594 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4878917 0.91 CYP3A4 (0.77) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4884572 0.90 CYP3A4 (0.58) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4889001 0.89 CYP3A4 (0.72) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4888544 0.88 CYP3A4 (0.55) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4882382 0.85 CYP3A4 (0.51) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4882498 0.85 CYP3A4 (0.52) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL14021372 0.83 CYP3A4 (1.00) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4888592 0.83 CYP3A4 (0.74) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL14021371 0.81 CYP3A4 (0.81) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL14021374 0.81 CYP3A4 (0.85) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6

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 4 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

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 1357/4885MCHR1 3902/4885
US-20100311740-A1 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS HRH2, GIPR, MLNR CYP3A4 151/4885CYP2C9 585/4885MCHR1 3913/4885

“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.