SCHEMBL4882382

SCHEMBL4882382

COc1ccc(COc2cc(-n3ccccc3=O)cn3cc(C)nc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
CYP2C9 P11712 5/20 0.51
MCHR1 Q99705 4/20 0.43
PPARG P37231 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.39
PLK1 P53350 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
F10 P00742 1/20 0.37
KLKB1 P03952 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL4885893 0.89 CYP3A4 (0.52) CYP3A4CYP2C9MCHR1GRM5SMN1; SMN2
SCHEMBL4886747 0.85 CYP3A4 (0.71) CYP3A4CYP2C9MCHR1CTSLCTSB
SCHEMBL4884572 0.83 CYP3A4 (0.58) CYP3A4CYP2C9MCHR1CTSLCTSB
SCHEMBL4885288 0.82 CYP3A4 (0.73) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4888544 0.81 CYP3A4 (0.55) CYP3A4CYP2C9MCHR1CTSLCTSB
SCHEMBL4877737 0.77 RAB9A (0.43) PPARGKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7849956 0.77 PPARG (0.60) CYP3A4CYP2C9PPARGKDM4ECYP1A2
SCHEMBL4878917 0.75 CYP3A4 (0.77) CYP3A4CYP2C9MCHR1CYP1A2CYP2D6
SCHEMBL4889001 0.74 CYP3A4 (0.72) CYP3A4CYP2C9MCHR1SMN1; SMN2CYP1A2
SCHEMBL31166839 0.74 NPC1 (0.47) CYP2C9MCHR1CTSLCTSBGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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 (1 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

“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.