SCHEMBL4881836

SCHEMBL4881836

COc1ccc(COc2cc(Br)cn3c(C)c(C)nc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CSF1R P07333 5/20 0.39
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
PDE2A O00408 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 1/20 0.39
CCR5 P51681 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
PPARG P37231 1/20 0.38
PABPC1 P11940 1/20 0.38
RAD52 P43351 1/20 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
SCHEMBL5212872 0.86 ATP4A (0.52) CYP3A4CYP2C9ATP4AATP4BRAB9A
SCHEMBL4877737 0.80 RAB9A (0.43) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL31211004 0.79 AKT1 (0.40) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4881671 0.79 SNCA (0.37) CYP3A4CYP2C9ATP4AATP4BNPC1
SCHEMBL4891085 0.78 CYP3A4 (0.65) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4886747 0.78 CYP3A4 (0.71) CYP3A4CYP2C9ATP4AATP4BCYP1A2
SCHEMBL1584139 0.76 HDAC8 (0.42) CYP3A4CYP2C9CYP1A2CYP2C19HDAC8
SCHEMBL4882498 0.76 CYP3A4 (0.52) CYP3A4CYP2C9ATP4AATP4BNPC1
SCHEMBL12996950 0.74 CYP2C9 (0.42) CYP3A4CYP2C9NPC1RAB9ACYP1A2
SCHEMBL12996957 0.74 PTGS2 (0.43) CYP3A4CYP2C9CYP2D6CYP2C19

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 6 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
WO-2007003386-A1 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-01-11 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 1357/4885ATP4A 392/4885
US-20100311740-A1 IMIDAZOPYRIDINE DERIVATIVES AS ACID PUMP ANTAGONISTS HRH2, GIPR, MLNR CYP3A4 151/4885CYP2C9 585/4885ATP4A 13/4885

“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.