SCHEMBL3583159

SCHEMBL3583159

CC(C)(C)c1cc(-c2nc(C3CCN(C(=O)Cn4cnc5cnccc54)CC3)cs2)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.38
CPT1A P50416 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
CPT1B Q92523 2/20 0.35
F2 P00734 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
GRIN2B Q13224 5/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.33
CPT2 P23786 1/20 0.33

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
SCHEMBL3579769 0.94 CXCR3 (0.38) CXCR3CPT1AGPR119CPT1BF2
SCHEMBL3583166 0.92 GRIN2B (0.40) CXCR3CPT1ACPT1BF2GRIN2B
SCHEMBL3579798 0.91 CXCR3 (0.37) CXCR3CPT1AGPR119CPT1BF2
SCHEMBL13031274 0.86 CXCR3 (0.37) CXCR3F2GRIN2BNPC1RAB9A
SCHEMBL3587345 0.86 GRIN2B (0.42) CXCR3CPT1ACPT1BF2GRIN2B
SCHEMBL3589904 0.85 CXCR3 (0.37) CXCR3CPT1ACPT1BF2SCN9A
SCHEMBL3576355 0.85 CXCR3 (0.50) CXCR3
SCHEMBL3587544 0.84 CXCR3 (0.37) CXCR3CPT1AGPR119CPT1BF2
SCHEMBL3593336 0.81 MC4R (0.39) CXCR3CPT1AF2GRIN2BSMN1; SMN2
SCHEMBL13031273 0.80 GRIN2B (0.36) CXCR3F2GRIN2BNPC1RAB9A

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 6 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
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 1/4885CPT1A 1947/4885GPR119 161/4885

“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.