SCHEMBL6094550

SCHEMBL6094550

Cn1c(N2CCC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
CYP2C9 P11712 1/20 0.54
KCNE1 P15382 1/20 0.52
CCR1 P32246 1/20 0.52
KCNQ1 P51787 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CALCA P06881 1/20 0.47
LIPG Q9Y5X9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 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
SCHEMBL6094737 0.98 CYP2C9 (0.56) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL12776746 0.97 CYP2C9 (0.55) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6087562 0.91 KCNH2 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6093745 0.91 KCNE1 (0.52) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6094821 0.91 KCNE1 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6093682 0.91 KCNH2 (0.51) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6094768 0.90 KCNE1 (0.49) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6093724 0.89 KCNE1 (0.49) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6093565 0.89 KCNE1 (0.49) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6094863 0.89 MEN1 (0.52) KCNH2CYP2C9KCNE1CCR1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 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 (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 KCNH2 4026/4885CYP2C9 701/4885KCNE1 3935/4885

“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.