SCHEMBL3604209

SCHEMBL3604209

O=C(Nc1nc2cc(F)c(F)cc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 18/20 0.79
IRAK1 P51617 2/20 0.79
MTOR P42345 1/20 0.79
DYRK3 O43781 1/20 0.56
ROCK2 O75116 1/20 0.56
RPS6KA5 O75582 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
CDK1 P06493 1/20 0.56
PHKG2 P15735 1/20 0.56
MARK3 P27448 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
CLK2 P49760 1/20 0.56
GSK3B P49841 1/20 0.56
NEK4 P51957 1/20 0.56
CSNK1G2 P78368 1/20 0.56
ITK Q08881 1/20 0.56
MAP4K2 Q12851 1/20 0.56
DYRK1A Q13627 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
SCHEMBL29363239 0.89 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL3600534 0.89 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL13594628 0.84 IRAK4 (0.77) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL175464 0.80 IRAK4 (0.82) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL13500533 0.78 IRAK4 (0.79) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL13500626 0.75 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL13500670 0.75 IRAK4 (0.86) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL13594630 0.74 IRAK4 (0.95) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956678 0.74 IRAK4 (1.00) IRAK4IRAK1MTOR
SCHEMBL28024114 0.74 POLB (0.73) IRAK4IRAK1MTORKDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
US-7132438-B2 Benzimidazole derivatives AMGEN INC. (US) 2006-11-07 US disclosed
EP-1434579-A1 IMIDAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Tularik Inc. (US) 2004-07-07 EP disclosed
US-20030144286-A1 Benzimidazole derivatives TULARIK, INC 2003-07-31 US disclosed
WO-2003030902-A1 IMIDAZOLE DERIVATES AS ANTI-INFLAMMATORY AGENTS TULARIK INC. (US) 2003-04-17 WO 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 (3 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-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation IDO2, IRF2BP2, IRF3 IRAK4 102/4885IRAK1 121/4885MTOR 96/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 IRAK4 55/4885IRAK1 87/4885MTOR 160/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 IRAK4 55/4885IRAK1 87/4885MTOR 160/4885

“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.