SCHEMBL3579069

SCHEMBL3579069

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)CN4CCNC4=O)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS2 P35354 2/20 0.32
CPT1A P50416 4/20 0.32
CPT2 P23786 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TLR8 Q9NR97 3/20 0.31
TLR7 Q9NYK1 3/20 0.31
PDE4B Q07343 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL3589661 0.88 TLR8 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3580754 0.87 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13031454 0.84 PTGS2 (0.35) KDM4EALDH1A1PTGS2LMNAMAPT
SCHEMBL3576341 0.84 PDE4B (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3586123 0.83 WNT3 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3592264 0.83 CPT1A (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3593480 0.83 CPT1A (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3581098 0.83 CPT1A (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3581779 0.83 TLR9 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3591790 0.83 PSEN1 (0.36) KDM4EALDH1A1HPGDNPSR1PTGS2

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-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
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 GABRA1 333/4885GABRG2 514/4885GABRB3 484/4885

“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.