SCHEMBL4056575

SCHEMBL4056575

CC(=O)c1c(C)nc2sc3ccccc3c2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL4061232 0.87 ALDH1A1 (0.45) ALDH1A1MAPTHTTKMT2AHPGD
SCHEMBL27709825 0.86 MAPT (0.48) ALDH1A1MAPTHTTKMT2AHPGD
SCHEMBL4058141 0.85 MAPT (0.43) ALDH1A1MAPTHTTKMT2AHPGD
SCHEMBL4055022 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHTTKMT2AHPGD
SCHEMBL27689855 0.79 KDM4E (0.41) ALDH1A1MAPTHTTHPGDGAA
SCHEMBL27709824 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL4055917 0.76 KMT2A (0.56) KMT2A
SCHEMBL4056791 0.75 ALDH1A1 (0.56) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL4056576 0.75 SMN1; SMN2 (0.40) ALDH1A1MAPTHTTKMT2AHPGD
SCHEMBL3476309 0.75 KMT2A (0.61) KMT2AMEN1GAASMN1; SMN2KDM4E

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
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
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US 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 1326/4885HTT 1407/4885

“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.