SCHEMBL2965986

SCHEMBL2965986

Cn1c(C2CCOCC2)nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.36
HCRTR1 O43613 1/20 0.36
SLC22A2 O15244 1/20 0.35
CYP3A4 P08684 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KCNE1 P15382 1/20 0.35
CCR1 P32246 1/20 0.35
KCNQ1 P51787 1/20 0.35
P2RX7 Q99572 4/20 0.34
PDE2A O00408 2/20 0.34
AADAT Q8N5Z0 1/20 0.33
MAPK14 Q16539 1/20 0.33
KAT7 O95251 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
RIPK1 Q13546 1/20 0.33
PDE9A O76083 3/20 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
SCHEMBL2960284 0.95 CYP2C9 (0.37) CYP2C9KCNH2HCRTR1SLC22A2CYP3A4
SCHEMBL2957321 0.85 KCNE1 (0.38) CYP2C9KCNH2SLC22A2CYP3A4TMEM97
SCHEMBL2967109 0.82 CYP2C9 (0.37) CYP2C9KCNH2SLC22A2CYP3A4TMEM97
SCHEMBL2961299 0.82 KCNH2 (0.42) CYP2C9KCNH2SLC22A2CYP3A4TMEM97
SCHEMBL2960928 0.81 CYP2C9 (0.38) CYP2C9KCNH2SLC22A2CYP3A4TMEM97
SCHEMBL13243791 0.81 CALCA (0.46) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2970870 0.81 KCNE1 (0.37) CYP2C9KCNH2SLC22A2CYP3A4TMEM97
SCHEMBL13917344 0.80 CYP2C9 (0.42) CYP2C9KCNH2HCRTR1SLC22A2CYP3A4
SCHEMBL2957304 0.80 CYP2C9 (0.39) CYP2C9KCNH2SLC22A2CYP3A4TMEM97
SCHEMBL2968014 0.80 KCNE1 (0.38) CYP2C9KCNH2SLC22A2CYP3A4TMEM97

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 CYP2C9 655/4885KCNH2 3016/4885HCRTR1 4656/4885

“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.