SCHEMBL13031322

SCHEMBL13031322

COc1c(C(C)(C)C)cc(-c2ncc(C3CCN(C(=O)Cn4nc(C)nc4C)CC3)s2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 18/20 0.40
KCNH2 Q12809 4/20 0.37
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL14496187 0.91 CXCR3 (0.39) CXCR3KCNH2PTGS1PTGS2
SCHEMBL13031390 0.87 CXCR3 (0.39) CXCR3KCNH2PTGS1PTGS2
SCHEMBL13031357 0.87 CXCR3 (0.40) CXCR3KCNH2
SCHEMBL13031134 0.86 PTGS2 (0.35) PTGS1PTGS2
SCHEMBL13031140 0.85 PTGS2 (0.36) KCNH2PTGS1PTGS2
SCHEMBL3576143 0.85 CXCR3 (0.36) CXCR3KCNH2
SCHEMBL13031262 0.84 NPY5R (0.35) KCNH2PTGS1PTGS2
SCHEMBL13031479 0.84 NAMPT (0.36) KCNH2PTGS1PTGS2
SCHEMBL13031155 0.84 PTGS2 (0.33) PTGS1PTGS2
SCHEMBL13031258 0.84 GRIN2B (0.35) PTGS1PTGS2

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 2 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

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 1/4885KCNH2 2030/4885PTGS1 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.