SCHEMBL2667889

SCHEMBL2667889

CC(CNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2C2CCCCC2)cc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.76
GIPR P48546 6/20 0.76
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL2254559 0.92 GCGR (0.78) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2667524 0.92 GCGR (0.78) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL12360090 0.89 GCGR (0.73) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2250235 0.89 GCGR (0.73) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2250241 0.88 GCGR (0.72) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2250990 0.87 GCGR (0.75) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2253924 0.87 GCGR (1.00) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2250246 0.86 GCGR (0.76) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL13003258 0.86 GCGR (0.87) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2667307 0.85 GCGR (0.85) GCGRGIPRCYP3A4CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989475-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-7989475-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
EP-1590336-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-12-01 EP disclosed
US-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2009-08-27 US disclosed
US-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2009-08-27 US disclosed
US-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 US disclosed
WO-2004069158-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-08-19 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-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885CYP3A4 325/4885

“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.