SCHEMBL2213615

SCHEMBL2213615

C[C@@H]1CN(c2nc(F)c(C#Cc3ccccn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ERN1 O75460 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
FGFR4 P22455 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PIK3R1 P27986 1/20 0.33

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
SCHEMBL2213166 0.86 KDM4E (0.36) GAAL3MBTL1FGFR4KDM4EPIK3CA
SCHEMBL2215049 0.82 ALDH1A1 (0.38) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2216696 0.78 TSHR (0.40) GAAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL3067923 0.70 KDM4E (0.39) GAAL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL3066971 0.70 KDM4E (0.44) GAAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL2217944 0.70 SCN9A (0.43) GAAERN1L3MBTL1ALDH1A1KDM4E
SCHEMBL2247147 0.70 GAA (0.46) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2247152 0.70 GAA (0.46) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL3070258 0.69 KDM4E (0.39) KDM4EHTT
SCHEMBL3068291 0.69 KDM4E (0.44) GAAALDH1A1KDM4EKMT2AHTT

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 3274/4885ERN1 2259/4885L3MBTL1 4446/4885

“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.