SCHEMBL2962684

SCHEMBL2962684

CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.50
CCR1 P32246 1/20 0.50
KCNQ1 P51787 1/20 0.50
KCNH2 Q12809 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LIPG Q9Y5X9 2/20 0.40
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
LMNA P02545 1/20 0.38
CALCA P06881 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2962667 0.88 KCNH2 (0.51) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2963365 0.81 KCNH2 (0.51) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL1150549 0.81 KCNH2 (0.51) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2963376 0.81 KCNH2 (0.53) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL1151067 0.79 KCNE1 (0.48) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL3532176 0.78 KCNH2 (0.50) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL1150153 0.77 KCNH2 (0.59) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL1150414 0.77 KCNH2 (0.51) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL1150215 0.76 KCNH2 (0.50) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL1150041 0.76 CYP2C9 (0.61) KCNE1CCR1KCNQ1KCNH2CYP2C9

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 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.