SCHEMBL1049258

SCHEMBL1049258

O=C(O)c1cccc(-c2cnc3ccc(NCCCO)nn23)c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.83
DYRK3 O43781 1/20 0.64
DYRK1A Q13627 1/20 0.64
DYRK2 Q92630 1/20 0.64
DYRK1B Q9Y463 1/20 0.64
MKNK1 Q9BUB5 2/20 0.61
PIM1 P11309 1/20 0.57
PIM2 Q9P1W9 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
SCHEMBL18613660 0.91 FYN (1.00) FYNMKNK1PIM1PIM2
SCHEMBL1056095 0.91 FYN (0.81) FYNMKNK1PIM1PIM2
SCHEMBL1052447 0.91 FYN (0.81) FYNMKNK1PIM1PIM2
SCHEMBL1054792 0.84 FYN (0.78) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL2943274 0.84 FYN (0.72) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL1051343 0.84 FYN (0.72) FYNMKNK1
SCHEMBL2942585 0.84 FYN (0.72) FYNMKNK1PIM1
SCHEMBL1055238 0.83 FYN (0.67) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL1055241 0.83 FYN (0.67) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL2950822 0.82 PIM1 (0.83) FYNDYRK3DYRK1ADYRK2DYRK1B

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 666/4885DYRK3 2299/4885DYRK1A 1551/4885

“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.