SCHEMBL2644397

SCHEMBL2644397

CS(=O)(=O)Nc1cnc(N)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.41
FEN1 P39748 7/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
BACE1 P56817 1/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL13484185 0.78 EDNRA (0.46) ALOX5APFEN1PIK3CBPIK3CGPIK3CA
SCHEMBL31274000 0.76 EDNRA (0.47) PIK3CBPIK3CGPIK3CAPIK3CDABL1
SCHEMBL7351894 0.74 CA12 (0.46) PIK3CBPIK3CGPIK3CAPIK3CDKDM4E
SCHEMBL5764124 0.72 NOS3 (0.41) ALOX5APFEN1PIK3CBPIK3CGPIK3CA
SCHEMBL12358914 0.72 P4HTM (0.47) BACE1KDM4E
SCHEMBL14390105 0.72
SCHEMBL31035753 0.71 ALPL (0.50) ALOX5APFEN1PIK3CBKDM4ECA12
SCHEMBL2644058 0.71 ALPL (0.50) ALOX5APFEN1PIK3CBKDM4ECA12
SCHEMBL2645490 0.71 KDM4E (0.35) ABL1KDM4ECA1CA2GAA
SCHEMBL12678559 0.71 SREBF1 (0.36) PIK3CGABL1KDM4EGAAMAPT

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 ALOX5AP 3219/4885FEN1 4364/4885PIK3CB 747/4885

“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.