SCHEMBL3576143

SCHEMBL3576143

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4nc(C)nc4C)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.36
POLB P06746 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KCNH2 Q12809 2/20 0.33
THRB P10828 2/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
TP53 P04637 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
SCHEMBL3589533 0.91 CXCR3 (0.35) CXCR3KCNH2
SCHEMBL3588152 0.88 CXCR3 (0.38) CXCR3POLBIRAK4KCNH2CPT2
SCHEMBL3581647 0.87 CXCR3 (0.36) CXCR3KCNH2CPT2CPT1A
SCHEMBL3583234 0.85 CPT1A (0.35) IRAK4CPT2CPT1A
SCHEMBL13031322 0.85 CXCR3 (0.40) CXCR3KCNH2
SCHEMBL3581627 0.85 IRAK4 (0.33) IRAK4KCNH2CPT2CPT1A
SCHEMBL3581779 0.84 TLR9 (0.34) IRAK4KCNH2CPT2CPT1A
SCHEMBL3585746 0.84 CPT1A (0.33) IRAK4KCNH2CPT2CPT1A
SCHEMBL3584110 0.84 IRAK4 (0.34) POLBIRAK4CPT2CPT1ATP53
SCHEMBL3590320 0.84 IRAK4 (0.33) POLBIRAK4KCNH2CPT2CPT1A

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 7 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 claimed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (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 CXCR3 1/4885POLB 4548/4885IRAK4 367/4885

“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.