SCHEMBL2645367

SCHEMBL2645367

N=C(NOC(=O)OCC1c2ccccc2-c2ccccc21)c1cnc(N)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
EPHX2 P34913 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 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
SCHEMBL2644949 0.80 KMT2A (0.36) KMT2AFABP5FABP7EPHX2MDM4
SCHEMBL2645372 0.80 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL9995038 0.76 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL12067884 0.75 KMT2A (0.62) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15119354 0.72 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.72 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL12231119 0.70 KMT2A (0.54) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17167370 0.69 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15058849 0.69 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL8612414 0.67 KMT2A (0.54) KMT2AFABP5FABP7EPHX2CA1

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 2865/4885FABP5 838/4885FABP7 1593/4885

“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.