SCHEMBL1055002

SCHEMBL1055002

OCCCNc1ccc2ncc(-c3ccc(O)cc3)n2n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.80
FYN P06241 14/20 0.77
PIM1 P11309 1/20 0.62
IKBKB O14920 1/20 0.56

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
SCHEMBL2941494 0.92 MKNK1 (0.79) MKNK1FYNPIM1IKBKB
SCHEMBL1053575 0.89 MKNK1 (1.00) MKNK1FYNPIM1
SCHEMBL2948191 0.89 MKNK1 (0.78) MKNK1FYNIKBKB
SCHEMBL13234778 0.88 MKNK1 (0.63) MKNK1FYNPIM1IKBKB
SCHEMBL3041717 0.87 FYN (1.00) MKNK1FYN
SCHEMBL2949519 0.86 FYN (0.77) MKNK1FYNPIM1
SCHEMBL2950417 0.85 FYN (0.79) MKNK1FYN
SCHEMBL4694587 0.85 MKNK1 (0.73) MKNK1FYNIKBKB
SCHEMBL20485733 0.83 FYN (1.00) MKNK1FYN
SCHEMBL2950230 0.82 FYN (0.76) MKNK1FYNIKBKB

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 4 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
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 MKNK1 105/4885FYN 666/4885PIM1 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.