SCHEMBL117177

SCHEMBL117177

CCOC(=O)c1cn2c(C)c(Br)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
KDM4E B2RXH2 7/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
RXFP1 Q9HBX9 2/20 0.48
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.46
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3545664 0.83 GAA (0.63) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL21356112 0.83 GAA (0.63) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL3542064 0.81 GAA (0.60) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL2086528 0.81 PTGS1 (0.41) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL102137 0.81 GAA (0.75) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL3498812 0.80 GAA (0.54) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL21354875 0.79 GAA (0.61) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL30680924 0.79 GAA (0.54) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL118953 0.78 GAA (0.59) GAAKDM4EPOLBRAB9ANPC1
SCHEMBL1500236 0.77 KDM4E (0.64) GAAKDM4EPOLBRAB9ANPC1

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-2024067694-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 中国医药研究开发中心有限公司 2024-04-04 WO disclosed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
US-7902219-B2 2-benzoylimidazopyridine derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-08 US disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 WO disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-04 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 GAA 4620/4885KDM4E 2059/4885POLB 4658/4885
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP GAA 30/4885KDM4E 2967/4885POLB 1028/4885
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF NR4A2, NR4A3, NCOR1 GAA 4741/4885KDM4E 2764/4885POLB 3459/4885

“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.