SCHEMBL2968014

SCHEMBL2968014

Cn1cnnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38
KCNQ1 P51787 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 5/20 0.35
SLC22A2 O15244 1/20 0.34
CYP3A4 P08684 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PDE2A O00408 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
MAPK14 Q16539 1/20 0.33
KLKB1 P03952 1/20 0.33
RIPK1 Q13546 2/20 0.33
NTRK1 P04629 1/20 0.33
POLB P06746 1/20 0.33
MAPK13 O15264 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
SCHEMBL2954697 0.95 KCNE1 (0.37) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2960928 0.86 CYP2C9 (0.38) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2963952 0.82 CYP2C9 (0.37) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2961299 0.82 KCNH2 (0.42) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2967109 0.81 CYP2C9 (0.37) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2965986 0.80 CYP2C9 (0.38) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2963376 0.80 KCNH2 (0.53) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2967463 0.80 KCNH2 (0.45) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL2957321 0.79 KCNE1 (0.38) KCNE1CCR1KCNQ1CYP2C9KCNH2
SCHEMBL13243791 0.78 CALCA (0.46) KCNE1CCR1KCNQ1CYP2C9KCNH2

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 KCNE1 3953/4885CCR1 1208/4885KCNQ1 3905/4885

“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.