SCHEMBL2644094

SCHEMBL2644094

CC(C)=Cc1cnc(N)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.46
NOS3 P29474 2/20 0.37
NOS1 P29475 1/20 0.37
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FEN1 P39748 3/20 0.32
ALOX5AP P20292 3/20 0.32
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL16935131 0.71 NOS2 (0.44) NOS2NOS3NOS1HSP90AA1
SCHEMBL1107417 0.70
SCHEMBL647114 0.69
SCHEMBL30996071 0.68 NOS2 (0.45) NOS2NOS3NOS1KDM4E
SCHEMBL27745714 0.67 RAB9A (0.44) NOS2KDM4EHSP90AA1
Hydrochloric Acid SCHEMBL29354497 0.66 HSP90AA1 (0.47) NOS2NOS3NOS1KDM4EFEN1
SCHEMBL14042504 0.65 CCR1 (0.44) NOS2NOS3KDM4EL3MBTL1
SCHEMBL19910609 0.64 KDM4E (0.39) NOS2KDM4EL3MBTL1
SCHEMBL969805 0.64 NOS2 (0.32) NOS2
SCHEMBL13786544 0.64 NOS3 (0.31) NOS2NOS3NOS1

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
CN-100469770-C 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2009-03-18 CN disclosed
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
CN-1726197-A 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2006-01-25 CN 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 NOS2 2716/4885NOS3 2804/4885NOS1 2803/4885

“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.