SCHEMBL1053271

SCHEMBL1053271

O=[N+]([O-])c1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.72
MKNK1 Q9BUB5 2/20 0.70
PIM1 P11309 7/20 0.61
KCNH2 Q12809 3/20 0.52
IKBKB O14920 1/20 0.47

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
SCHEMBL1055016 0.85 FYN (0.81) FYNMKNK1PIM1KCNH2
SCHEMBL1051264 0.84 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1055876 0.84 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1052943 0.84 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL4779099 0.84 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1052981 0.84 FYN (1.00) FYNMKNK1PIM1KCNH2
SCHEMBL1055979 0.83 FYN (0.80) FYNMKNK1PIM1KCNH2
SCHEMBL1054451 0.83 FYN (0.72) FYNMKNK1PIM1KCNH2
SCHEMBL1055042 0.83 FYN (0.75) FYNMKNK1PIM1KCNH2
SCHEMBL1054748 0.83 FYN (0.74) FYNMKNK1PIM1KCNH2IKBKB

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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US claimed
EP-2063962-A2 IRAK MODULATORS FOR TREATING AN INFLAMMATORY CONDITION, CELL PROLIFERATIVE DISORDER, IMMUNE DISORDER Biogen Idec MA Inc. (US) 2009-06-03 EP claimed
WO-2008030579-A2 IRAK MODULATORS FOR TREATING AN INFLAMMATORY CONDITION, CELL PROLIFERATIVE DISORDER, IMMUNE DISORDER BIOGEN IDEC MA INC. (US) 2008-03-13 WO claimed

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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 FYN 666/4885MKNK1 105/4885PIM1 147/4885

“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.