SCHEMBL3581779

SCHEMBL3581779

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4ccnc4C)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
F10 P00742 4/20 0.34
CPT1A P50416 4/20 0.33
CPT2 P23786 2/20 0.33
NAMPT P43490 1/20 0.33
KCNH2 Q12809 2/20 0.33
CPT1B Q92523 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
FPR2 P25090 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL3584282 0.90 KCNH2 (0.34) CPT1ACPT2KCNH2CPT1BGABRA1
SCHEMBL3588046 0.90 ALK (0.34) CPT1ACPT2GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL3588301 0.90 CPT1A (0.34) CPT1ACPT2CPT1BGABRA1GABRG2
SCHEMBL3576129 0.89 KDM4E (0.34) CPT1ACPT2CPT1BFPR2
SCHEMBL3581627 0.88 IRAK4 (0.33) CPT1ACPT2KCNH2CPT1BGABRA1
SCHEMBL3590320 0.86 IRAK4 (0.33) CPT1ACPT2KCNH2CPT1BGABRA1
SCHEMBL3584110 0.86 IRAK4 (0.34) CPT1ACPT2CPT1BIRAK4GRIN2B
SCHEMBL3583234 0.86 CPT1A (0.35) CPT1ACPT2CPT1BIRAK4GRIN2B
SCHEMBL15451262 0.85 KCNH2 (0.35) CPT1ACPT2KCNH2CPT1BGABRA1
SCHEMBL3593480 0.85 CPT1A (0.35) CPT1ACPT2KCNH2CPT1BGABRA1

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 4 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 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 TLR9 3026/4885TLR8 3674/4885TLR7 3785/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 TLR9 32/4885TLR8 266/4885TLR7 52/4885

“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.