SCHEMBL3586453

SCHEMBL3586453

COC(=O)Cc1nn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)n3)CC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.39
FLT3 P36888 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL3581043 0.90 IRAK4 (0.36) IRAK4
SCHEMBL13031178 0.86 IRAK4 (0.34) IRAK4
SCHEMBL3596525 0.85 CPT1A (0.33) IRAK4
SCHEMBL3576143 0.80 CXCR3 (0.36) IRAK4
SCHEMBL3581627 0.80 IRAK4 (0.33) IRAK4
SCHEMBL3588152 0.80 CXCR3 (0.38) IRAK4
SCHEMBL3591790 0.80 PSEN1 (0.36) IRAK4
SCHEMBL3584110 0.79 IRAK4 (0.34) IRAK4
SCHEMBL3588834 0.79 GRIN1 (0.35) IRAK4
SCHEMBL3590320 0.79 IRAK4 (0.33) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US 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 (1 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 IRAK4 367/4885FLT3 551/4885

“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.