SCHEMBL2779688

SCHEMBL2779688

O=C(c1ccccc1)c1csc2c1ccc(=O)n2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
CCR6 P51684 1/20 0.36
ATM Q13315 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL2782631 0.88 POLB (0.47) ALDH1A1KMT2AHPGDHTTNPSR1
SCHEMBL2784096 0.74 ALDH1A1 (0.45) MAPK14GSK3AGSK3BALDH1A1KMT2A
SCHEMBL2780524 0.74 ALDH1A1 (0.45) MAPK14GSK3AGSK3BALDH1A1KMT2A
SCHEMBL2780284 0.72 ALDH1A1 (0.46) MAPK14GSK3AGSK3BALDH1A1KMT2A
SCHEMBL2780292 0.72 ALDH1A1 (0.44) GSK3AGSK3BALDH1A1KMT2AMEN1
SCHEMBL5931342 0.72 MAPK14 (0.55) MAPK14GSK3AGSK3BALDH1A1KMT2A
SCHEMBL2783756 0.71 HPGD (0.38) GSK3AGSK3BALDH1A1KMT2AMEN1
SCHEMBL2781649 0.71 ALDH1A1 (0.38) MAPK14GSK3AGSK3BALDH1A1KMT2A
SCHEMBL2782377 0.70 MAPT (0.37) MAPK14GSK3AGSK3BALDH1A1KMT2A
SCHEMBL2782055 0.69 MAT2A (0.40) ALDH1A1KMT2AMEN1HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US claimed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 US claimed
US-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 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-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 MAPK14 31/4885GSK3A 444/4885GSK3B 317/4885

“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.