SCHEMBL6389221

SCHEMBL6389221

COc1ccc(-c2cn3cc(C)ccc3n2)cc1OC

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.97
NPC1 O15118 11/20 0.97
SMN1; SMN2 Q16637 9/20 0.97
KDM4E B2RXH2 9/20 0.97
ALDH1A1 P00352 8/20 0.97
MAPT P10636 6/20 0.97
HPGD P15428 6/20 0.97
PKM P14618 5/20 0.97
HSD17B10 Q99714 4/20 0.97
TP53 P04637 3/20 0.97
NFKB1 P19838 2/20 0.97
NFKB2 Q00653 2/20 0.97
RELA Q04206 2/20 0.97
MAPK1 P28482 2/20 0.97
ALOX15 P16050 1/20 0.97
HTT P42858 1/20 0.97
LMNA P02545 2/20 0.78
ALOX12 P18054 1/20 0.78
TSHR P16473 3/20 0.73
ALDH1A3 P47895 3/20 0.69

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
SCHEMBL20370639 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4725053 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL24265257 0.86 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL29402748 0.86 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12848495 0.84 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6390132 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12848787 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12848497 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6389879 0.81 RAB9A (0.97) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2932154 0.80 ALDH1A3 (0.79) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381363-B1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-12-08 EP claimed
EP-1381363-A1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-21 EP claimed
US-6596731-B2 An imidazo(1,2-a)pyridine derivative useful for treating chronical or acute neurological disorders, cognitive disorders and memory deficits HOFFMANN-LA ROCHE INC. 2003-07-22 US claimed
US-20020188128-A1 Substituted imidazo[1,2-A] pyridine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-12-12 US claimed
WO-2002092086-A1 IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO claimed
US-6916826-B2 Substituted imidazo[1,2-a]pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
US-6861437-B2 Substituted imidazo [1,2-a] pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1381363-B1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-12-08 EP disclosed
US-20040180921-A1 Substituted imidazo[1,2-a]pyridine derivatives MUTEL VINCENT (FR) 2004-09-16 US disclosed
EP-1381363-A1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-21 EP disclosed
US-20030212096-A1 Substituted imidazo [1,2-a] pyridine derivatives MUTEL VINCENT (FR) 2003-11-13 US disclosed
US-6596731-B2 An imidazo(1,2-a)pyridine derivative useful for treating chronical or acute neurological disorders, cognitive disorders and memory deficits HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-20020188128-A1 Substituted imidazo[1,2-A] pyridine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-12-12 US disclosed
WO-2002092086-A1 IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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 (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-20030212096-A1 Substituted imidazo [1,2-a] pyridine derivatives GRM5, GRM1, GRIK5 RAB9A 982/4885NPC1 413/4885SMN1; SMN2 768/4885
US-20040180921-A1 Substituted imidazo[1,2-a]pyridine derivatives GRM5, GRM1, GRIK5 RAB9A 982/4885NPC1 413/4885SMN1; SMN2 768/4885
US-20020188128-A1 Substituted imidazo[1,2-A] pyridine derivatives GRM5, GRM1, GRIK5 RAB9A 982/4885NPC1 413/4885SMN1; SMN2 768/4885

“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.