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SCHEMBL3579063

SCHEMBL3579063

CCn1ccn(CC(=O)N2CCC(c3csc(-c4cc(Cl)cc(Cl)c4)n3)CC2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ ENPP2 Q13822 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ TYMS P04818 2/20 0.33
▸ LTA4H P09960 2/20 0.33
▸ VDR P11473 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CPT1A P50416 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
SCHEMBL3584269 0.91 GRIN2B (0.40) GRIN2BGRIN1LMNAMAPTSMN1; SMN2
SCHEMBL3581616 0.91 MAPK1 (0.41) MAPK1LMNAMAPTSMN1; SMN2EGFR
SCHEMBL3575795 0.87 RORC (0.35) GRIN2BGRIN1LMNASMN1; SMN2TLR9
SCHEMBL3588606 0.87 CPT1A (0.44) CPT1A
SCHEMBL3576053 0.87 PIN1 (0.43) MAPK1LMNASMN1; SMN2EGFRTYMS
SCHEMBL3591786 0.85 CPT1A (0.37) ENPP2SMN1; SMN2CPT1A
SCHEMBL3587868 0.84 ALDH1A1 (0.44) SMN1; SMN2TLR9TLR8TLR7CPT1A
SCHEMBL14496017 0.84 CPT1A (0.39) ENPP2TLR9TLR8TLR7CPT1A
SCHEMBL3590376 0.84 TRPC3 (0.41) LMNAPOLBEPHX2CPT1A
SCHEMBL3581033 0.84 TP53 (0.36) LMNAMAPTCPT1A

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
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US 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 GRIN2B 584/4885MAPK1 1173/4885ENPP2 262/4885

“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.