SCHEMBL23917952

SCHEMBL23917952

CCOC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.65
GAA P10253 4/20 0.65
GLA P06280 3/20 0.65
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 5/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
UCHL1 P09936 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL14738821 0.86 TGFBR1 (0.47) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL22144786 0.83 KDM4E (0.48) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL13316525 0.82 KDM4E (0.40) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL198335 0.79 KDM4E (1.00) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL13316549 0.79 KDM4E (0.44) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL22124658 0.77 KDM4E (0.44) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL11640185 0.77 KDM4E (0.77) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL17379020 0.77 KDM4E (0.77) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6284331 0.77 KDM4E (0.77) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL21580874 0.75 KDM4E (0.42) KDM4EGAAGLAHPGDALDH1A1

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-20210317141-A1 OXOPYRIDO[1,2-A]PYRIMIDINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-14 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-20210317141-A1 OXOPYRIDO[1,2-A]PYRIMIDINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION TYMS, UMPS, DPYD KDM4E 3928/4885GAA 2899/4885GLA 3093/4885

“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.