SCHEMBL2212992

SCHEMBL2212992

C[C@@H]1CN(c2ncc(-c3cccnc3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
PIK3CA P42336 2/20 0.43
PIK3R1 P27986 1/20 0.43
MTOR P42345 1/20 0.43
CYP11B2 P19099 7/20 0.42
GAK O14976 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2215416 0.88 GAK (0.52) PIK3CAGAKALDH1A1MEN1KMT2A
SCHEMBL2216042 0.87 GAK (0.41) ERN1PIK3CAPIK3R1MTORGAK
SCHEMBL2215363 0.86 LRRK2 (0.40) ERN1PIK3CAPIK3R1CYP11B2GAK
SCHEMBL2217666 0.85 GAK (0.37) PIK3CAGAKPIK3CDPIK3CGALDH1A1
SCHEMBL2216045 0.84 ALDH1A1 (0.37) PIK3CAPIK3R1MTORGAKPIK3CD
SCHEMBL2212997 0.84 GAK (0.35) PIK3CAGAKALDH1A1MEN1KMT2A
SCHEMBL2247014 0.83 PIK3CA (0.40) PIK3CAGAKPIK3CDPIK3CGALDH1A1
SCHEMBL2247007 0.83 PIK3CA (0.40) PIK3CAGAKPIK3CDPIK3CGALDH1A1
SCHEMBL2214872 0.83 TDP1 (0.40) PIK3CACYP11B2GAKPIK3CDPIK3CG
SCHEMBL2217944 0.82 SCN9A (0.43) ERN1PIK3CAPIK3R1MTORGAK

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 ERN1 2259/4885PIK3CA 3969/4885PIK3R1 4387/4885

“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.