SCHEMBL1055831

SCHEMBL1055831

N#Cc1ccc(-c2cnc3ccc(NC4CCCCC4)nn23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.71
▸ PIM1 P11309 9/20 0.64
▸ FYN P06241 6/20 0.58
▸ NTRK1 P04629 2/20 0.57
▸ NTRK3 Q16288 2/20 0.57
▸ NTRK2 Q16620 2/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ INSR P06213 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ CSF1R P07333 1/20 0.57
▸ LYN P07948 1/20 0.57
▸ RET P07949 1/20 0.57
▸ IGF1R P08069 1/20 0.57
▸ MET P08581 1/20 0.57
▸ ROS1 P08922 1/20 0.57
▸ PDGFRB P09619 1/20 0.57
▸ FGR P09769 1/20 0.57
▸ KIT P10721 1/20 0.57
▸ SRC P12931 1/20 0.57

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
SCHEMBL4692371 0.90 PIM1 (0.79) MKNK1PIM1FYNNTRK1NTRK3
SCHEMBL1053959 0.89 FYN (0.74) MKNK1PIM1FYNNTRK1NTRK3
SCHEMBL1053592 0.86 MKNK1 (0.78) MKNK1PIM1FYNKCNH2IKBKB
SCHEMBL1054456 0.85 MKNK1 (0.76) MKNK1PIM1FYNKCNH2IKBKB
SCHEMBL3031883 0.83 MKNK1 (1.00) MKNK1PIM1FYNKCNH2
SCHEMBL3041980 0.82 MKNK1 (0.97) MKNK1PIM1FYNKCNH2
SCHEMBL1055087 0.82 MKNK1 (0.71) MKNK1PIM1FYNKCNH2
SCHEMBL15254504 0.82 MKNK1 (0.71) MKNK1PIM1FYNKCNH2IKBKB
SCHEMBL22421574 0.79 MKNK1 (0.64) MKNK1PIM1FYNKCNH2
SCHEMBL23299207 0.79 MKNK1 (0.67) MKNK1PIM1FYNKCNH2

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 MKNK1 105/4885PIM1 147/4885FYN 666/4885

“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.

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