SCHEMBL1053202

SCHEMBL1053202

N#Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 10/20 0.80
▸ FYN P06241 9/20 0.74
▸ MKNK1 Q9BUB5 1/20 0.66
▸ NTRK1 P04629 1/20 0.58
▸ NTRK3 Q16288 1/20 0.58
▸ NTRK2 Q16620 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL102864 0.89 PIM1 (1.00) PIM1FYNNTRK1NTRK3NTRK2
SCHEMBL103576 0.89 PIM1 (1.00) PIM1FYNNTRK1NTRK3NTRK2
SCHEMBL138888 0.89 PIM1 (1.00) PIM1FYNNTRK1NTRK3NTRK2
SCHEMBL1053959 0.89 FYN (0.74) PIM1FYNMKNK1NTRK1NTRK3
SCHEMBL1053252 0.86 FYN (0.79) PIM1FYNMKNK1KCNH2
SCHEMBL1052926 0.85 FYN (1.00) PIM1FYNMKNK1KCNH2
SCHEMBL1053040 0.85 PIM1 (0.77) PIM1FYNMKNK1KCNH2
SCHEMBL16216051 0.85 PIM1 (0.77) PIM1FYNMKNK1KCNH2
SCHEMBL1051232 0.85 PIM1 (0.77) PIM1FYNMKNK1KCNH2
SCHEMBL102689 0.85 PIM1 (1.00) PIM1FYNKCNH2

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

“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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