SCHEMBL13249010

SCHEMBL13249010

N#Cc1ccc(=O)n(-c2ccccc2)c1S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 4/20 0.36
BCAT1 P54687 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAT2A P31153 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL2782445 0.78 KDM4E (0.38) GSK3AGSK3BGAAMAPTCYP3A4
SCHEMBL11206288 0.70 MAPK1 (0.50) GSK3AGSK3BGAAMAPTCYP3A4
SCHEMBL5759510 0.69 KDM4E (0.45) GSK3AGSK3BGAAALDH1A1HPGD
SCHEMBL1258272 0.66 KDM4E (0.49) GSK3AGSK3BGAACYP3A4ALDH1A1
SCHEMBL7084390 0.64 GAA (0.44) GSK3AGSK3BGAAALDH1A1HPGD
SCHEMBL19377934 0.63 GRIA1 (0.50) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2783188 0.62 KDM4E (0.41) GSK3AGSK3BALDH1A1HPGDKDM4E
SCHEMBL2781441 0.62 LMNA (0.43) GSK3AGSK3BGAAMAPTALDH1A1
SCHEMBL11306236 0.62 MAPT (0.52) GSK3AGSK3BGAAMAPTCYP3A4
SCHEMBL10059379 0.61 ATM (0.43) GAAMAPTALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-15 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-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof AASDHPPT, PTMS, TPMT GSK3A 3140/4885GSK3B 2806/4885GAA 2546/4885

“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.