SCHEMBL13031258

SCHEMBL13031258

COc1c(C(C)(C)C)cc(-c2ncc(C3CCN(C(=O)Cn4cc(Cl)nc4C)CC3)s2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.35
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
TP53 P04637 2/20 0.33
NPY5R Q15761 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALK Q9UM73 1/20 0.32

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
SCHEMBL13031134 0.93 PTGS2 (0.35) GRIN2BPTGS2PTGS1ALK
SCHEMBL13031155 0.90 PTGS2 (0.33) GRIN2BPTGS2PTGS1TP53POLB
SCHEMBL13031262 0.86 NPY5R (0.35) GRIN2BPTGS2PTGS1TP53NPY5R
SCHEMBL13031479 0.86 NAMPT (0.36) GRIN2BPTGS2PTGS1
SCHEMBL13031310 0.85 GRIN2B (0.34) GRIN2BPTGS2PTGS1ALK
SCHEMBL3584110 0.85 IRAK4 (0.34) GRIN2BTP53POLBMAPT
SCHEMBL13031372 0.84 PTGS2 (0.35) GRIN2BPTGS2PTGS1
SCHEMBL13031191 0.84 GRIN2B (0.33) GRIN2BPTGS2PTGS1
SCHEMBL13031140 0.84 PTGS2 (0.36) GRIN2BPTGS2PTGS1NPY5RALK
SCHEMBL13031322 0.84 CXCR3 (0.40) PTGS2PTGS1

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 3 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 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 584/4885PTGS2 311/4885PTGS1 190/4885

“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.