SCHEMBL7155208

SCHEMBL7155208

CCCCC(B(O)O)n1cnc2cncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
ADA P00813 5/20 0.36
PDE2A O00408 3/20 0.36
CYP3A4 P08684 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL21311452 0.80 FDPS (0.41) FDPSADAPDE2ACYP3A4PDE4A
SCHEMBL25849033 0.80 FDPS (0.41) FDPSADAPDE2ACYP3A4PDE4A
SCHEMBL11904867 0.80 FDPS (0.40) FDPSADAPDE2ACYP3A4PDE4A
SCHEMBL29782912 0.79 FDPS (0.41) FDPSADAPDE2ACYP3A4PDE4A
SCHEMBL25826138 0.78 ADA (0.43) FDPSADAPDE2ACYP3A4PDE4A
SCHEMBL17017279 0.77 ADA (0.62) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL30544611 0.77 ADA (0.62) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL29782897 0.77 ADA (0.40) FDPSADAPDE2ACYP3A4PDE4A
SCHEMBL27854933 0.73 FDPS (0.40) FDPSCYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL1742009 0.72 FDPS (0.58) FDPSADAPDE2ACYP3A4PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022864-A1 9-[(5-dihydroxyboryl)-pentyl] purines, useful as an inhibitor of inflammatory cytokines LEUKOMED, INC. 2003-01-30 US disclosed
US-20030022864-A1 9-[(5-dihydroxyboryl)-pentyl] purines, useful as an inhibitor of inflammatory cytokines LEUKOMED, INC. 2003-01-30 US disclosed
WO-2002085916-A1 9-[(5-DIHYDROXYBORYL)-PENTYL] PURINES, INHIBITOR OF INFLAMMATORY CYTOKINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-10-31 WO 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-20030022864-A1 9-[(5-dihydroxyboryl)-pentyl] purines, useful as an inhibitor of inflammatory cytokines IL1B, IL1A, IL1R1 FDPS 222/4885ADA 219/4885PDE2A 299/4885

“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.