SCHEMBL4059374

SCHEMBL4059374

Cc1nc2sccc2c(-c2ccccc2)c1C(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
DHODH Q02127 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
PRNP P04156 1/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
TACR1 P25103 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 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
SCHEMBL4056745 0.89 DHODH (0.38) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL2821858 0.80 MAPT (0.68) MAPTGAANPSR1SMN1; SMN2FABP3
SCHEMBL4056705 0.80 FABP3 (0.46) MAPTGAANPSR1SMN1; SMN2FABP3
SCHEMBL4058477 0.79 MAPT (0.43) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL4058141 0.77 MAPT (0.43) MAPTGAANPSR1SMN1; SMN2FABP3
SCHEMBL4057323 0.77 MAPT (0.44) MAPTGAANPSR1SMN1; SMN2RXFP1
SCHEMBL2821848 0.74 PRNP (0.75) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL2821849 0.74 GAA (0.46) MAPTGAANPSR1SMN1; SMN2FABP3
SCHEMBL2821535 0.73 FABP3 (0.53) MAPTGAANPSR1SMN1; SMN2DHODH
SCHEMBL2821537 0.73 GAA (0.45) MAPTGAANPSR1SMN1; SMN2FABP3

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