SCHEMBL6881241

SCHEMBL6881241

COc1cc2c(cc1OCCCN1CCN(C)CC1)[N+]([O-])=CNC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.42
EHMT2 Q96KQ7 7/20 0.41
EHMT1 Q9H9B1 5/20 0.40
TLR7 Q9NYK1 3/20 0.40
TLR9 Q9NR96 2/20 0.40
ABCB1 P08183 1/20 0.39
SRC P12931 1/20 0.38
DNMT1 P26358 1/20 0.38
EGFR P00533 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3280907 0.90 CYP2D6 (0.46) CHEK1SRCEGFRKDR
SCHEMBL6031477 0.74 CHRNA7 (0.49)
SCHEMBL6487213 0.72 TSHR (0.46) ABCB1EGFR
SCHEMBL5912841 0.70 TNFSF11 (0.44)
SCHEMBL6881236 0.70 PDE3B (0.45) CHEK1EHMT2EHMT1TLR7TLR9
SCHEMBL4096057 0.67 EGFR (0.53) SRCEGFRFGFR1FLT1FLT4
SCHEMBL12448364 0.67 KDM4E (0.51) EHMT2EHMT1ABCB1
SCHEMBL5103081 0.67 EHMT2 (0.50) EHMT2EHMT1ABCB1
SCHEMBL30764769 0.67 EHMT2 (0.50) EHMT2EHMT1ABCB1
SCHEMBL199299 0.66 EHMT2 (0.51) EHMT2EHMT1TLR7TLR9SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 CHEK1 823/4885EHMT2 3178/4885EHMT1 2404/4885

“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.