SCHEMBL3590320

SCHEMBL3590320

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4cc(CO)nc4C)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.33
CPT1A P50416 3/20 0.32
CPT2 P23786 2/20 0.32
CPT1B Q92523 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
GRIN2B Q13224 1/20 0.31
SHMT1 P34896 1/20 0.30
CYP3A4 P08684 1/20 0.30
TP53 P04637 1/20 0.30
SCN9A Q15858 1/20 0.30
ALK Q9UM73 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3581627 0.92 IRAK4 (0.33) IRAK4CPT1ACPT2CPT1BGABRA1
SCHEMBL3584110 0.90 IRAK4 (0.34) IRAK4CPT1ACPT2CPT1BPOLB
SCHEMBL15451262 0.86 KCNH2 (0.35) IRAK4CPT1ACPT2CPT1BGABRA1
SCHEMBL3581779 0.86 TLR9 (0.34) IRAK4CPT1ACPT2CPT1BGABRA1
SCHEMBL3585404 0.86 CPT1A (0.32) IRAK4CPT1ACPT2CPT1BGABRA1
SCHEMBL13031155 0.85 PTGS2 (0.33) LMNAPOLBGRIN2BTP53ALK
SCHEMBL3583237 0.85 CPT1A (0.34) IRAK4CPT1ACPT2CPT1BGABRA1
SCHEMBL3583149 0.85 IRAK4 (0.32) IRAK4CPT1ACPT2CPT1BLMNA
SCHEMBL3584282 0.85 KCNH2 (0.34) CPT1ACPT2CPT1BGABRA1GABRG2
SCHEMBL3589601 0.85 CPT1A (0.33) IRAK4CPT1ACPT2CPT1BGABRA1

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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US claimed
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 (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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 IRAK4 3194/4885CPT1A 1529/4885CPT2 3009/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 IRAK4 367/4885CPT1A 1947/4885CPT2 2552/4885

“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.