SCHEMBL24372787

SCHEMBL24372787

O=C(Nc1nc2ccccc2n1CC1CCCO1)c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 18/20 1.00
IRAK1 P51617 3/20 0.67
MTOR P42345 1/20 0.67
DYRK3 O43781 1/20 0.65
ROCK2 O75116 1/20 0.65
RPS6KA5 O75582 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
CDK1 P06493 1/20 0.65
PHKG2 P15735 1/20 0.65
MARK3 P27448 1/20 0.65
CSNK1A1 P48729 1/20 0.65
CSNK1D P48730 1/20 0.65
CLK2 P49760 1/20 0.65
GSK3B P49841 1/20 0.65
NEK4 P51957 1/20 0.65
CSNK1G2 P78368 1/20 0.65
ITK Q08881 1/20 0.65
MAP4K2 Q12851 1/20 0.65
DYRK1A Q13627 1/20 0.65

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
SCHEMBL25956617 0.87 IRAK4 (0.83) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL26938119 0.85 IRAK4 (0.74) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL169834 0.81 IRAK4 (0.71) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956610 0.81 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL3600534 0.80 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL29363239 0.80 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956635 0.80 IRAK4 (0.81) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956628 0.80 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL29827291 0.80 IRAK4 (0.89) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956620 0.80 IRAK4 (0.89) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 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 (2 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 4/4885IRAK1 3/4885MTOR 1433/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 IRAK4 4/4885IRAK1 3/4885MTOR 1433/4885

“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.