SCHEMBL169834

SCHEMBL169834

O=C(Nc1nc2ccccc2n1CCC1CNCCO1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.71
IRAK1 P51617 3/20 0.68
MTOR P42345 1/20 0.68
DYRK3 O43781 1/20 0.66
ROCK2 O75116 1/20 0.66
RPS6KA5 O75582 1/20 0.66
PRKD3 O94806 1/20 0.66
MAP4K4 O95819 1/20 0.66
CDK1 P06493 1/20 0.66
PHKG2 P15735 1/20 0.66
MARK3 P27448 1/20 0.66
CSNK1A1 P48729 1/20 0.66
CSNK1D P48730 1/20 0.66
CLK2 P49760 1/20 0.66
GSK3B P49841 1/20 0.66
NEK4 P51957 1/20 0.66
CSNK1G2 P78368 1/20 0.66
ITK Q08881 1/20 0.66
MAP4K2 Q12851 1/20 0.66
DYRK1A Q13627 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
SCHEMBL25956637 0.81 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL24372787 0.81 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956628 0.81 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL169836 0.81 IRAK4 (0.70) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL29363239 0.81 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL3600534 0.81 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL29827291 0.81 IRAK4 (0.89) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956620 0.81 IRAK4 (0.89) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL18427725 0.80 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956635 0.80 IRAK4 (0.81) IRAK4IRAK1MTORDYRK3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883409-B2 Protection of cells from degeneration and treatment of geographic atrophy UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-01-30 US claimed
US-11739385-B2 Discovery of a somatic mutation in MYD88 gene in lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-29 US claimed
US-20200206236-A1 Protection of Cells from Degeneration and Treatment of Geographic Atrophy UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-07-02 US claimed
US-20200149114-A1 DISCOVERY OF A SOMATIC MUTATION IN MYD88 GENE IN LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-14 US claimed
EP-3077001-B1 METHODS TO DISTINGUISH WALDENSTRÖM'S MACROGLOBULINEMIA FROM IGM MONOCLONAL GAMMOPATHY OF UNDETERMINED SIGNIFICANCE DANA FARBER CANCER INST INC (US) 2020-04-15 EP claimed
US-10612095-B2 Methods to distinguish Waldenström's Macroglobulinemia from IgM monoclonal gammopathy of undetermined significance DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-07 US claimed
US-10465247-B2 Discovery of a somatic mutation in MYD88 gene in lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US claimed
US-20180282734-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-04 US claimed
US-9855273-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-01-02 US claimed
EP-2999470-B1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-08-16 EP claimed
EP-3077001-A1 METHODS TO DISTINGUISH WALDENSTRÖM'S MACROGLOBULINEMIA FROM IGM MONOCLONAL GAMMOPATHY OF UNDETERMINED SIGNIFICANCE Dana-Farber Cancer Institute, Inc. (US) 2016-10-12 EP claimed
EP-2999470-A2 COMBINATION THERAPY FOR MDS Children's Hospital Medical Center (US) 2016-03-30 EP claimed
US-20160038529-A1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2016-02-11 US claimed
US-9168257-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2015-10-27 US claimed
WO-2015085075-A1 METHODS TO DISTINGUISH WALDENSTRÖM'S MACROGLOBULINEMIA FROM IGM MONOCLONAL GAMMOPATHY OF UNDETERMINED SIGNIFICANCE DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-11 WO claimed
WO-2014190163-A2 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-11-27 WO claimed
US-20140350070-A1 Combination Therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2014-11-27 US claimed
US-20140249142-A1 DISCOVERY OF A SOMATIC MUTATION IN MYD88 GENE IN LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-09-04 US claimed
EP-2726634-A2 DISCOVERY OF A SOMATIC MUTATION IN MYD88 GENE IN LYMPHOPLASMACYTIC LYMPHOMA Dana-Farber Cancer Institute, Inc. (US) 2014-05-07 EP claimed
WO-2013006443-A2 DISCOVERY OF A SOMATIC MUTATION IN MYD88 GENE IN LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-01-10 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 (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-20180282734-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER IRAK1, IRAK4, IRAK2 IRAK4 2/4885IRAK1 1/4885MTOR 1004/4885
US-20160038529-A1 COMBINATION THERAPY FOR MDS MCL1, IRAK4, IRAK3 IRAK4 2/4885IRAK1 5/4885MTOR 2436/4885
US-20140350070-A1 Combination Therapy for MDS MCL1, IRAK4, IRAK3 IRAK4 2/4885IRAK1 5/4885MTOR 2436/4885

“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.