SCHEMBL2216256

SCHEMBL2216256

C[C@@H]1CN(c2ncc(-c3c[nH]cn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PIK3CA P42336 4/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
GAK O14976 2/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
ALOX15 P16050 1/20 0.32
MAP3K12 Q12852 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SYK P43405 1/20 0.32
PIK3R1 P27986 2/20 0.32

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
SCHEMBL2214626 0.83 CYP2C9 (0.36) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL3809787 0.83 CYP2C9 (0.36) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL2214218 0.83 LRRK2 (0.44) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL2214872 0.81 TDP1 (0.40) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL2217944 0.80 SCN9A (0.43) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL2213598 0.80 PIK3CA (0.35) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL2215141 0.79 ERN1 (0.45) PIK3CAPIK3R1LRRK2
SCHEMBL2215416 0.79 GAK (0.52) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL2215363 0.79 LRRK2 (0.40) GAARAB9AMAPTL3MBTL1PIK3CA
SCHEMBL2247014 0.79 PIK3CA (0.40) GAARAB9AMAPTL3MBTL1PIK3CA

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 3274/4885RAB9A 1749/4885MAPT 2817/4885

“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.