SCHEMBL2963952

SCHEMBL2963952

Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
SLC22A2 O15244 1/20 0.36
CYP3A4 P08684 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ABL1 P00519 1/20 0.36
KCNE1 P15382 1/20 0.36
CCR1 P32246 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNH2 Q12809 1/20 0.35
PDE1A P54750 3/20 0.34
PDE1B Q01064 3/20 0.34
PDE1C Q14123 3/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
P2RX7 Q99572 3/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL2960928 0.95 CYP2C9 (0.38) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2954697 0.87 KCNE1 (0.37) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2970870 0.86 KCNE1 (0.37) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2960846 0.82 KCNH2 (0.41) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2960284 0.82 CYP2C9 (0.37) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2968014 0.82 KCNE1 (0.38) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2957321 0.81 KCNE1 (0.38) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2963365 0.81 KCNH2 (0.51) CYP2C9KCNE1CCR1KCNQ1KCNH2
SCHEMBL2957304 0.80 CYP2C9 (0.39) CYP2C9SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2968912 0.80 KCNH2 (0.44) CYP2C9SLC22A2CYP3A4TMEM97ABCG2

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 10 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
WO-2008154246-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-18 WO 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 CYP2C9 655/4885SLC22A2 3072/4885CYP3A4 464/4885

“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.