SCHEMBL3579884

SCHEMBL3579884

Cc1nc2ccccc2n1CC(=O)N1CCC(c2csc(-c3cc(SC(F)(F)F)cc(C(C)(C)C)c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CXCR3 P49682 2/20 0.39
BRD4 O60885 4/20 0.37
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL3593336 0.88 MC4R (0.39) MAPTCXCR3LMNAUSP2TSHR
SCHEMBL13072304 0.87 MAPT (0.39) MAPTCXCR3BRD4LMNAUSP2
SCHEMBL3576128 0.82 CXCR3 (0.45) CXCR3
SCHEMBL3587157 0.81 CXCR3 (0.41) MAPTCXCR3BRD4LMNAUSP2
SCHEMBL14496047 0.81 MAPT (0.37) MAPTCXCR3BRD4LMNAUSP2
SCHEMBL3578687 0.80 CXCR3 (0.38) CXCR3
SCHEMBL3581758 0.80 SHMT1 (0.32) MAPTLMNAUSP2TSHRNPSR1
SCHEMBL3582667 0.78 SHMT1 (0.31)
SCHEMBL3634136 0.77 TRPC3 (0.34) BRD4LMNANPSR1TP53
SCHEMBL3581026 0.77 GRIN2B (0.38) MAPTUSP2

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 MAPT 4292/4885CXCR3 1/4885BRD4 1048/4885

“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.