SCHEMBL2254697

SCHEMBL2254697

COC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ STS P08842 2/20 0.44
▸ GCGR P47871 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GPR119 Q8TDV5 6/20 0.43
▸ PKM P14618 1/20 0.43
▸ GIPR P48546 2/20 0.43
▸ HTT P42858 1/20 0.41

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
SCHEMBL2667292 0.86 GCGR (0.60) GCGRGIPR
SCHEMBL2250997 0.86 GCGR (0.45) GCGRMEN1KMT2APOLBGIPR
SCHEMBL2667290 0.84 GCGR (0.62) GCGRGIPR
SCHEMBL3386433 0.83 MEN1 (0.48) GCGRMEN1KMT2APOLBGIPR
SCHEMBL2251290 0.81 GCGR (0.45) MAPTGCGRMEN1KMT2AGIPR
SCHEMBL13748622 0.81 GCGR (0.47) GCGRHDAC1HDAC6GIPR
SCHEMBL2251590 0.80 KMT2A (0.48) MAPTGCGRMEN1KMT2APOLB
SCHEMBL2250281 0.76 GCGR (0.43) MAPTGCGRMEN1KMT2AGIPR
SCHEMBL2667403 0.74 GCGR (0.64) GCGRGIPR
SCHEMBL2658747 0.73 MEN1 (0.57) MAPTGCGRMEN1KMT2APOLB

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-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

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 MAPT 4651/4885TP53 3455/4885THRB 181/4885
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 MAPT 4651/4885TP53 3455/4885THRB 181/4885

“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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