SCHEMBL6017627

SCHEMBL6017627

Cn1c(-c2c(F)cccc2F)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.54
CCR1 P32246 1/20 0.54
KCNQ1 P51787 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.48
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
KCNH2 Q12809 1/20 0.45
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
AADAT Q8N5Z0 1/20 0.43
SCD O00767 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
SCHEMBL6017708 0.94 KCNE1 (0.48) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6018572 0.92 KMT2A (0.49) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017870 0.90 KCNE1 (0.47) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017839 0.90 SCD (0.46) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017737 0.89 KCNE1 (0.44) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6018704 0.89 KCNE1 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6018223 0.87 CNR1 (0.48) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL6017760 0.87 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A
SCHEMBL6017974 0.87 MAOB (0.43) KCNE1CCR1KCNQ1KMT2AMEN1
SCHEMBL6017779 0.86 KCNE1 (0.42) KCNE1CCR1KCNQ1SMN1; SMN2KMT2A

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 3 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
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.