SCHEMBL3581616

SCHEMBL3581616

CCn1ccn(CC(=O)N2CCC(c3csc(-c4ccc(Cl)cc4)n3)CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 3/20 0.41
TYMS P04818 3/20 0.41
LTA4H P09960 3/20 0.41
VDR P11473 3/20 0.41
SRC P12931 3/20 0.41
CTSK P43235 3/20 0.41

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
SCHEMBL3591786 0.91 CPT1A (0.37) SMN1; SMN2
SCHEMBL3579063 0.91 GRIN2B (0.34) MAPK1LMNAMAPTSMN1; SMN2EGFR
SCHEMBL3576053 0.91 PIN1 (0.43) MAPK1LMNASMN1; SMN2EGFRTYMS
SCHEMBL3588606 0.91 CPT1A (0.44)
SCHEMBL3584269 0.89 GRIN2B (0.40) LMNAMAPTSMN1; SMN2
SCHEMBL3590376 0.89 TRPC3 (0.41) LMNA
SCHEMBL3588339 0.89 GABRA1 (0.43) MAPK1MAPTSMN1; SMN2
SCHEMBL3581033 0.89 TP53 (0.36) LMNAMAPT
SCHEMBL4872170 0.85 HTR2C (0.47) LMNAMAPTSMN1; SMN2
SCHEMBL14496017 0.84 CPT1A (0.39)

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-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
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 MAPK1 1173/4885LMNA 4877/4885MAPT 4292/4885

“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.