SCHEMBL6094780

SCHEMBL6094780

CNc1nc(C(=O)ONCc2ccc(F)cc2)c(O)c(=O)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
BRDT Q58F21 1/20 0.37
LMNA P02545 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
CES2 O00748 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6092543 0.86 KCNE1 (0.41) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL7048893 0.83 KCNE1 (0.55) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL6094777 0.78 ERCC1 (0.40) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL6094720 0.72 ALDH1A1 (0.39) KMT2ASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL1151185 0.68 KCNE1 (0.54) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL27635508 0.68 KCNE1 (0.55) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL6018290 0.67 KCNE1 (0.53) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL1150068 0.67 KCNE1 (0.53) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL4905094 0.67 KCNE1 (0.65) LIPGKCNE1CCR1KCNQ1KMT2A
SCHEMBL5314622 0.67 KCNE1 (0.67) LIPGKCNE1CCR1KCNQ1KMT2A

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 LIPG 2045/4885KCNE1 3935/4885CCR1 660/4885

“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.