SCHEMBL3584110

SCHEMBL3584110

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.34
GRIN2B Q13224 6/20 0.33
SHMT1 P34896 1/20 0.32
CPT1A P50416 3/20 0.32
CPT2 P23786 2/20 0.32
CPT1B Q92523 1/20 0.31
TP53 P04637 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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) IRAK4GRIN2BCPT1ACPT2CPT1B
SCHEMBL3590320 0.90 IRAK4 (0.33) IRAK4GRIN2BSHMT1CPT1ACPT2
SCHEMBL3581779 0.86 TLR9 (0.34) IRAK4GRIN2BCPT1ACPT2CPT1B
SCHEMBL3585746 0.86 CPT1A (0.33) IRAK4SHMT1CPT1ACPT2CPT1B
SCHEMBL13031258 0.85 GRIN2B (0.35) GRIN2BTP53POLBMAPT
SCHEMBL3583149 0.85 IRAK4 (0.32) IRAK4GRIN2BCPT1ACPT2CPT1B
SCHEMBL3589601 0.85 CPT1A (0.33) IRAK4GRIN2BCPT1ACPT2CPT1B
SCHEMBL3585326 0.84 KDM4E (0.32) IRAK4GRIN2BCPT1ACPT2CPT1B
SCHEMBL3576143 0.84 CXCR3 (0.36) IRAK4CPT1ACPT2TP53POLB
SCHEMBL3583234 0.84 CPT1A (0.35) IRAK4GRIN2BCPT1ACPT2CPT1B

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 3194/4885GRIN2B 1029/4885SHMT1 3097/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 IRAK4 367/4885GRIN2B 584/4885SHMT1 2666/4885

“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.