SCHEMBL6018290

SCHEMBL6018290

CNC(=O)c1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.53
CCR1 P32246 1/20 0.53
KCNQ1 P51787 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
KCNH2 Q12809 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.44
CES2 O00748 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43

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
SCHEMBL1150575 0.89 KCNE1 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL1150195 0.89 KCNE1 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL27616343 0.88 KCNE1 (0.54) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL6017760 0.87 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL6017686 0.86 KCNE1 (0.55) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL6017778 0.86 KCNE1 (0.55) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL1150452 0.86 KCNE1 (0.53) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL1150919 0.84 KCNE1 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL14501759 0.84 KCNE1 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL1149962 0.83 KCNE1 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US claimed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO claimed
US-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS KCNE1 3647/4885CCR1 1187/4885KCNQ1 2858/4885

“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.