SCHEMBL2247147

SCHEMBL2247147

C[C@@H]1CN(c2ncccc2C=O)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
ALDH1A1 P00352 8/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
KDM4E B2RXH2 5/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL2247152 1.00 GAA (0.46) GAAL3MBTL1PIK3CDPIK3CAPIK3CG
SCHEMBL2215135 0.84 TRIM24 (0.41) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL30286740 0.79 PDE10A (0.42) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL2247014 0.79 PIK3CA (0.40) GAAL3MBTL1PIK3CDPIK3CAPIK3CG
SCHEMBL2247007 0.79 PIK3CA (0.40) GAAL3MBTL1PIK3CDPIK3CAPIK3CG
SCHEMBL15966074 0.78 ALDH1A1 (0.46) GAAL3MBTL1PIK3CDPIK3CAPIK3CG
SCHEMBL2217944 0.78 SCN9A (0.43) GAAL3MBTL1PIK3CDPIK3CAPIK3CG
SCHEMBL2212992 0.78 ERN1 (0.44) GAAL3MBTL1PIK3CDPIK3CAPIK3CG
SCHEMBL30416835 0.77 HSD11B1 (0.51) PIK3CDPIK3CAPIK3CGALDH1A1MEN1
SCHEMBL30416776 0.77 HSD11B1 (0.51) PIK3CDPIK3CAPIK3CGALDH1A1MEN1

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX GAA 3274/4885L3MBTL1 4446/4885PIK3CD 4358/4885

“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.