SCHEMBL2961593

SCHEMBL2961593

CCOC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
PDE1B Q01064 4/20 0.38
PDE1C Q14123 3/20 0.37
PDE1A P54750 2/20 0.37
HTT P42858 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE4B Q07343 2/20 0.36
AADAT Q8N5Z0 2/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.35
AKT1 P31749 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
SCHEMBL2963777 0.93 OGFRL1 (0.38) TDP2PDE1BPDE1CPDE1AHTT
SCHEMBL12225747 0.89 ADORA2A (0.41) OGFRL1L3MBTL1ALDH1A1MAPT
SCHEMBL6093597 0.80 HTT (0.52) HTTL3MBTL1KDM4EALDH1A1AKT1
SCHEMBL2961577 0.79 OGFRL1 (0.38) HTTOGFRL1L3MBTL1KDM4EALDH1A1
SCHEMBL2963347 0.77 OGFRL1 (0.36) HTTOGFRL1L3MBTL1KDM4EALDH1A1
SCHEMBL22079303 0.77 NPSR1 (0.39) ALDH1A1
SCHEMBL20386876 0.75 KMT2A (0.43) HTTL3MBTL1ALDH1A1MAPT
SCHEMBL22079305 0.75 ADORA2A (0.40) ALDH1A1PDE4B
SCHEMBL20379042 0.73 PDE4A (0.45) HTTL3MBTL1ALDH1A1MAPT
SCHEMBL13691642 0.73 OGFRL1 (0.36) HTTOGFRL1L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
WO-2008154246-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-18 WO disclosed
WO-2008154246-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-18 WO disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 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-20080306051-A1 HIV Integrase Inhibitors TYMP, IMPDH1, UNG TDP2 158/4885PDE1B 2998/4885PDE1C 3097/4885

“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.