SCHEMBL2212554

SCHEMBL2212554

C[C@@H]1CN(c2ncc(-c3ccoc3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.41
MTOR P42345 2/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAK O14976 4/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35

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 0.84 GAK (0.52) PIK3CAGAAALDH1A1MEN1KMT2A
SCHEMBL2216042 0.83 GAK (0.41) ERN1MTORPIK3R1PIK3CAGAA
SCHEMBL2217996 0.82 GAK (0.42) PIK3CAGAAALDH1A1MEN1KMT2A
SCHEMBL2215363 0.82 LRRK2 (0.40) ERN1PIK3R1PIK3CAGAAALDH1A1
SCHEMBL2217666 0.81 GAK (0.37) PIK3CAGAAALDH1A1MEN1KMT2A
SCHEMBL2212966 0.81 AOC3 (0.37) PIK3CAGAAALDH1A1MEN1KMT2A
SCHEMBL2214723 0.81 PIK3CA (0.45) ERN1MTORPIK3R1PIK3CA
SCHEMBL2212992 0.81 ERN1 (0.44) ERN1MTORPIK3R1PIK3CAGAA
SCHEMBL2218016 0.81 GAK (0.39) GAAALDH1A1MEN1KMT2AGAK
SCHEMBL2215141 0.80 ERN1 (0.45) ERN1PIK3R1PIK3CAMET

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 2259/4885MTOR 722/4885PIK3R1 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.