SCHEMBL2250289

SCHEMBL2250289

N#Cc1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.63
GIPR P48546 4/20 0.41
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
IDH1 O75874 1/20 0.41
FNTB P49356 2/20 0.40
FNTA P49354 1/20 0.40
PGGT1B P53609 1/20 0.40
CMKLR1 Q99788 1/20 0.40
DDHD2 O94830 1/20 0.38
TRPA1 O75762 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
CTSK P43235 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH1 P35367 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL2252928 0.87 GCGR (0.66) GCGRGIPRDDHD2ABL1BCR
SCHEMBL2252023 0.84 GCGR (0.77) GCGRGIPRIDH1DDHD2
SCHEMBL2667494 0.83 GCGR (0.73) GCGRGIPRDDHD2ABL1BCR
SCHEMBL2251890 0.83 GCGR (0.63) GCGRGIPRKDM1AMAOBIDH1
SCHEMBL2667522 0.78 GCGR (1.00) GCGRGIPR
SCHEMBL2667893 0.77 GCGR (1.00) GCGRGIPR
SCHEMBL2667495 0.76 GCGR (0.70) GCGRGIPRDDHD2
SCHEMBL9071590 0.76 GCGR (0.78) GCGRGIPR
SCHEMBL12360097 0.75 GCGR (0.73) GCGRGIPR
SCHEMBL2251811 0.75 GCGR (0.76) GCGRGIPR

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 4/4885KDM1A 3755/4885
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885KDM1A 3755/4885

“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.