SCHEMBL3597174

SCHEMBL3597174

O=C(Nc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 1.00
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 1/20 1.00
KMT2A Q03164 5/20 0.76
MEN1 O00255 4/20 0.76
MAPT P10636 2/20 0.76
MCL1 Q07820 1/20 0.67
PKM P14618 1/20 0.66
MAOB P27338 1/20 0.66
ADORA2A P29274 1/20 0.66

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
SCHEMBL25956596 0.91 IRAK4 (0.83) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16562030 0.86 NPC1 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956581 0.86 IRAK4 (0.84) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956583 0.86 IRAK4 (0.84) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956580 0.86 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24373774 0.86 IRAK4 (0.84) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11703862 0.86 NPC1 (0.83) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956603 0.85 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956604 0.85 IRAK4 (0.78) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3595615 0.85 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368034-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER Children's Hospital Medical Center (US) 2018-09-05 EP claimed
WO-2017075054-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-05-04 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20200069668-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2020-03-05 US disclosed
US-20200069668-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2020-03-05 US disclosed
US-20170035881-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2017-02-09 US disclosed
US-20170035881-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2017-02-09 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 (7 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885NPC1 3159/4885RAB9A 4270/4885
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 102/4885NPC1 4428/4885RAB9A 3690/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 IRAK4 4/4885NPC1 3159/4885RAB9A 4270/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 IRAK4 55/4885NPC1 3547/4885RAB9A 4236/4885
US-20170035881-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor IRAK4, IRAK1, IRAK2 IRAK4 1/4885NPC1 2793/4885RAB9A 3475/4885
US-20200069668-A1 Therapeutic Combinations of an IRAK4 Inhibitor and a BTK Inhibitor IRAK4, IRAK1, IRAK2 IRAK4 1/4885NPC1 2793/4885RAB9A 3475/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885NPC1 3159/4885RAB9A 4270/4885

“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.