SCHEMBL4454115

SCHEMBL4454115

O=C(Cn1cnc2cccnc21)N1CCC(c2nccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.49
KCNH2 Q12809 5/20 0.42

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
SCHEMBL4462766 0.89 CXCR3 (0.50) CXCR3KCNH2
SCHEMBL4314342 0.87 CXCR3 (0.52) CXCR3KCNH2
SCHEMBL4314158 0.85 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL4312969 0.85 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL4307775 0.84 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL3584366 0.84 CXCR3 (0.50) CXCR3KCNH2
SCHEMBL13031571 0.82 CXCR3 (0.48) CXCR3KCNH2
SCHEMBL4459391 0.81 CXCR3 (0.50) CXCR3KCNH2
SCHEMBL4312856 0.79 CXCR3 (0.52) CXCR3KCNH2
SCHEMBL4464991 0.78 CXCR3 (0.49) CXCR3KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 CXCR3 1/4885KCNH2 1945/4885

“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.