SCHEMBL6092535

SCHEMBL6092535

Cn1c(N)nc(C(=O)O)c(O)c1=O.NCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.39
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38
KCNQ1 P51787 1/20 0.38
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL6094777 0.85 ERCC1 (0.40) ERCC1FEN1ERCC4LOXL2KCNE1
SCHEMBL6092543 0.77 KCNE1 (0.41) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL27616343 0.73 KCNE1 (0.54) ERCC1FEN1ERCC4KCNE1CCR1
SCHEMBL5766494 0.70 KMT2A (0.40) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL826469 0.68 RNASEH1 (0.39) KMT2AKDM4E
SCHEMBL5644823 0.68 LIPG (0.53) KCNE1CCR1KCNQ1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL28713743 0.66 LOXL2 (0.64) LOXL2DPP4KDM4ESMN1; SMN2
SCHEMBL6017760 0.65 SMN1; SMN2 (0.57) ERCC1FEN1ERCC4KCNE1CCR1
SCHEMBL1151004 0.65 KCNE1 (0.65) ERCC1FEN1ERCC4KCNE1CCR1
SCHEMBL12471410 0.64 ERCC1 (0.54) ERCC1FEN1ERCC4

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-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
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO 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 ERCC1 750/4885FEN1 34/4885ERCC4 657/4885

“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.