SCHEMBL2644949

SCHEMBL2644949

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(C(=N)NOC(=O)OCC2c3ccccc3-c3ccccc32)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.33
MDM2 Q00987 1/20 0.32
FABP5 Q01469 3/20 0.32
FABP7 O15540 2/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
BACE1 P56817 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL2644953 0.84 KMT2A (0.36) KMT2AEPHX2MDM2FABP5FABP7
SCHEMBL2645367 0.80 KMT2A (0.43) KMT2AEPHX2FABP5FABP7MDM4
SCHEMBL2644567 0.73 USP30 (0.33)
SCHEMBL4690513 0.71 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL26931389 0.70 KMT2A (0.46) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL9995038 0.69 KMT2A (0.56) KMT2AEPHX2FABP5FABP7MDM4
SCHEMBL12067884 0.68 KMT2A (0.62) KMT2AEPHX2FABP5FABP7MDM4
SCHEMBL30807400 0.67 KMT2A (0.45) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL17106633 0.67 KMT2A (0.45) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL15123552 0.67 KMT2A (0.40) KMT2AEPHX2FABP5FABP7CASP3

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
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 KMT2A 2865/4885EPHX2 4152/4885MDM2 1930/4885

“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.