SCHEMBL1924005

SCHEMBL1924005

Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.52
IRAK1 P51617 3/20 0.52
IRAK4 Q9NWZ3 3/20 0.52
TRPC5 Q9UL62 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
PRMT6 Q96LA8 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1924454 0.87 ALDH1A1 (0.53) MAP3K7IRAK1IRAK4ALDH1A1PRMT6
SCHEMBL1924434 0.80 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL20985413 0.78 IDO1 (0.48) MAP3K7IRAK1IRAK4ADORA2A
SCHEMBL1926108 0.78 ALDH1A1 (0.47) MAP3K7IRAK1IRAK4ALDH1A1HRH3
SCHEMBL5471566 0.75 DRD4 (0.56) ALDH1A1POLBHTT
SCHEMBL6229878 0.73 ALDH1A1 (0.71) ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL29313493 0.72 MAP3K7 (0.77) MAP3K7IRAK1IRAK4ALDH1A1SMN1; SMN2
SCHEMBL14315230 0.71 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL5911642 0.71 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL5470925 0.71 TRPC5 (0.56) TRPC5ALDH1A1HRH3POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293923-B2 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2012-10-23 US disclosed
US-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2011-06-23 US disclosed
EP-1434579-B1 IMIDAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2011-06-08 EP 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-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
EP-2061786-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE Biogen Idec MA Inc. (US) 2009-05-27 EP disclosed
WO-2008030584-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN- 1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2008-03-13 WO 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 (4 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 MAP3K7 294/4885IRAK1 121/4885IRAK4 102/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 MAP3K7 330/4885IRAK1 87/4885IRAK4 55/4885
US-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase IRAK1, IRAK2, IRAK3 MAP3K7 55/4885IRAK1 1/4885IRAK4 4/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 MAP3K7 330/4885IRAK1 87/4885IRAK4 55/4885

“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.