SCHEMBL4056791

SCHEMBL4056791

CC(=O)c1c(C)nc2sc(-c3ccccc3)cc2c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CNR2 P34972 1/20 0.48
PKM P14618 1/20 0.48
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
FABP3 P05413 1/20 0.45

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
SCHEMBL4063767 0.84 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL30079692 0.76 MAPT (0.75) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL2822088 0.76 MAPT (0.75) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL4056575 0.75 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL4055022 0.75 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL5316508 0.74 ALDH1A1 (0.48) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL2825174 0.74 ALDH1A1 (0.76) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL2826055 0.74 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL2822472 0.72 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL2820954 0.72 ALDH1A1 (0.54) ALDH1A1MAPTRAB9ANPC1KDM4E

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-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP claimed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US claimed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP claimed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 ALDH1A1 3097/4885MAPT 1326/4885RAB9A 2346/4885

“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.