SCHEMBL2255779

SCHEMBL2255779

COc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)n(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 17/20 0.59
▸ GIPR P48546 6/20 0.59
▸ HDAC1 Q13547 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SNCA P37840 1/20 0.47

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
SCHEMBL2254585 0.97 GCGR (0.59) GCGRGIPRHDAC1CYP3A4CYP2C8
SCHEMBL12360373 0.90 GCGR (0.54) GCGRGIPRHDAC1CYP3A4CYP2C8
SCHEMBL12360305 0.87 GCGR (0.60) GCGRGIPRHDAC1CYP3A4CYP2C8
SCHEMBL2252432 0.87 GCGR (0.58) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL12360281 0.85 GCGR (0.81) GCGRGIPRHDAC1CYP3A4CYP2C8
SCHEMBL13755867 0.85 GCGR (0.48) GCGRGIPRHDAC1CYP3A4CYP2C8
SCHEMBL12360299 0.84 GCGR (0.60) GCGRGIPRHDAC1CYP3A4CYP2C8
SCHEMBL9071559 0.84 GCGR (0.50) GCGRGIPRHDAC1CYP3A4CYP2C8
SCHEMBL2251967 0.83 GCGR (0.60) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL12360273 0.81 GCGR (0.81) GCGRGIPRHDAC1CYP3A4CYP2C8

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 4/4885HDAC1 1626/4885
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885HDAC1 1626/4885

“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.

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