SCHEMBL2250476

SCHEMBL2250476

FC(F)(F)Oc1ccc(-c2cc(Cc3ccc(Br)cc3)nn2C2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.66
GIPR P48546 3/20 0.45
KCNH2 Q12809 3/20 0.44
PTGS2 P35354 1/20 0.41
DDHD2 O94830 1/20 0.38
SLC5A1 P13866 1/20 0.38
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
DAGLB Q8NCG7 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
TEAD1 P28347 2/20 0.35

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
SCHEMBL2251890 0.87 GCGR (0.63) GCGRGIPRKCNH2PTGS2DDHD2
SCHEMBL2252133 0.86 GCGR (0.77) GCGRGIPRKCNH2PTGS2DDHD2
SCHEMBL2252928 0.82 GCGR (0.66) GCGRGIPRDDHD2ABL1BCR
SCHEMBL9071549 0.80 GCGR (1.00) GCGRGIPRKCNH2
SCHEMBL2667424 0.79 GCGR (0.78) GCGRGIPR
SCHEMBL2251280 0.77 GCGR (0.76) GCGRGIPRSLC5A1
SCHEMBL2667516 0.77 GCGR (0.73) GCGRGIPRKCNH2
SCHEMBL2667892 0.77 GCGR (0.68) GCGRGIPRKCNH2DDHD2SLC5A1
SCHEMBL12360076 0.77 GCGR (1.00) GCGRGIPR
SCHEMBL2250289 0.69 GCGR (0.63) GCGRGIPRDDHD2ABL1BCR

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 7 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
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-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2006-04-20 US disclosed
EP-1590336-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-11-02 EP 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 (2 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 4/4885KCNH2 1610/4885
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885KCNH2 1610/4885

“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.