SCHEMBL4058477

SCHEMBL4058477

Cc1nc2sccc2c(-c2ccccc2)c1C(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
DHODH Q02127 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
PRNP P04156 1/20 0.40
PPARG P37231 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NR2F2 P24468 1/20 0.40
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39

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 0.81 ALDH1A1 (0.45) MAPTGAANPSR1SMN1; SMN2FABP3
SCHEMBL4059374 0.79 MAPT (0.44) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL2825469 0.75 GAA (0.45) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL2823276 0.75 RXFP1 (0.73) MAPTGAANPSR1SMN1; SMN2FABP3
SCHEMBL4055391 0.74 MAPT (0.39) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL4057593 0.73 KMT2A (0.53) KMT2A
SCHEMBL4059270 0.70 APEX1 (0.42) MAPTKMT2AHTT
SCHEMBL2823193 0.70 FABP3 (0.45) MAPTGAANPSR1SMN1; SMN2FABP3
SCHEMBL2821630 0.70 FABP3 (0.49) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL27689852 0.69 DHODH (0.39) MAPTGAANPSR1SMN1; SMN2DHODH

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 13 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
CN-101120003-A Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE (CH) 2008-02-06 CN 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
CN-101120003-B Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE 2010-06-16 CN disclosed
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
CN-101120003-A Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE (CH) 2008-02-06 CN 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 MAPT 1326/4885GAA 1934/4885NPSR1 64/4885

“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.