SCHEMBL1055679

SCHEMBL1055679

COc1cc(OC)cc(-c2cnc3ccc(NC4CCOCC4)nn23)c1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.83
MKNK1 Q9BUB5 2/20 0.68
PIM1 P11309 9/20 0.67
KCNH2 Q12809 2/20 0.52

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
SCHEMBL1055226 0.91 FYN (0.79) FYNMKNK1PIM1
SCHEMBL2948048 0.91 FYN (1.00) FYNMKNK1PIM1KCNH2
SCHEMBL1055637 0.90 FYN (0.78) FYNMKNK1PIM1KCNH2
SCHEMBL3041628 0.88 PIM1 (0.66) FYNMKNK1PIM1KCNH2
SCHEMBL3041625 0.88 PIM1 (0.66) FYNMKNK1PIM1KCNH2
SCHEMBL1055103 0.88 FYN (1.00) FYNMKNK1PIM1
SCHEMBL1053282 0.86 FYN (0.73) FYNMKNK1PIM1KCNH2
SCHEMBL1055860 0.85 FYN (1.00) FYNMKNK1PIM1
SCHEMBL13234262 0.85 FYN (0.74) FYNMKNK1PIM1KCNH2
SCHEMBL1050607 0.84 FYN (0.73) FYNMKNK1PIM1KCNH2

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
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 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 (2 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
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 FYN 421/4885MKNK1 144/4885PIM1 365/4885

“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.