SCHEMBL708937

SCHEMBL708937

COc1ccc(-c2cnc3[nH]c(-c4cc(OCc5ccccc5)cc(OC(C)C)c4)nc3c2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.42
GRIN2B Q13224 6/20 0.42
GCK P35557 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 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
SCHEMBL712834 0.92 MAPT (0.40) GRIN1GRIN2BGCKMAPTALDH1A1
SCHEMBL713393 0.90 GRIN1 (0.43) GRIN1GRIN2BMAPTALDH1A1GAA
SCHEMBL719830 0.89 MCL1 (0.43) GCKMAPTALDH1A1SMN1; SMN2PRMT5
SCHEMBL709840 0.88 GRIN1 (0.42) GRIN1GRIN2BMAPTALDH1A1GAA
SCHEMBL710173 0.86 GCK (0.44) GCKMAPTALDH1A1SMN1; SMN2PRMT5
SCHEMBL710843 0.85 GCK (0.41) GRIN1GRIN2BGCKPRMT5TLR8
SCHEMBL720491 0.84 MAPT (0.46) GRIN1GRIN2BMAPTALDH1A1GAA
SCHEMBL709868 0.84 GCK (0.41) GCKMAPTPRMT5
SCHEMBL711183 0.84 GCK (0.42) GCKMAPTPRMT5MAPK1NPSR1
SCHEMBL720489 0.82 MAPT (0.46) MAPTPRMT5CSNK2A2CSNK2A1CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK GRIN1 1844/4885GRIN2B 1536/4885GCK 1/4885

“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.