SCHEMBL2216045

SCHEMBL2216045

C[C@@H]1CN(c2ncc(-c3ccncc3C=O)cc2C=O)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 2/20 0.36
AOC3 Q16853 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CB P42338 1/20 0.36
NPC1 O15118 1/20 0.35
GSK3B P49841 1/20 0.35
PIK3R1 P27986 1/20 0.35
MTOR P42345 1/20 0.35
GAK O14976 1/20 0.34
PIK3CG P48736 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
SCHEMBL2216042 0.87 GAK (0.41) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2214152 0.86 LRRK2 (0.48) KDM4EPIK3CAPIK3CDPIK3CBGAK
SCHEMBL2212992 0.84 ERN1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2214872 0.83 TDP1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2215288 0.82 L3MBTL1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2214156 0.81 GAK (0.38) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2215416 0.81 GAK (0.52) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2215363 0.81 LRRK2 (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2247014 0.81 PIK3CA (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2247007 0.81 PIK3CA (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E

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 ALDH1A1 246/4885MEN1 2336/4885KMT2A 4476/4885

“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.