SCHEMBL2970902

SCHEMBL2970902

Cc1cc(CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.42
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2C9 P11712 1/20 0.41
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
PPARG P37231 1/20 0.38
MMP10 P09238 3/20 0.36
MMP8 P22894 3/20 0.36
PDE1A P54750 3/20 0.36
PDE1B Q01064 3/20 0.36
PDE1C Q14123 3/20 0.36
AADAT Q8N5Z0 1/20 0.36
MMP9 P14780 1/20 0.36
SCD O00767 1/20 0.36

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
SCHEMBL2963365 0.88 KCNH2 (0.51) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2963376 0.83 KCNH2 (0.53) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6095011 0.81 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL13421765 0.81 KCNH2 (0.45) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL2960846 0.78 KCNH2 (0.41) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6093967 0.78 MMP13 (0.47) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL13405289 0.78 MMP13 (0.41) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL13405168 0.78 MMP13 (0.41) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6094348 0.78 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL13419881 0.78 MMP13 (0.42) MMP13KCNE1CCR1KCNQ1KCNH2

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 9 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 claimed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US claimed
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
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 MMP13 4384/4885KCNE1 3953/4885CCR1 1208/4885

“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.