SCHEMBL2644827

SCHEMBL2644827

Nc1cnc(C2OCCO2)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
PIK3R1 P27986 1/20 0.36
DLK1 P80370 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAP3K13 O43283 1/20 0.30
MAP3K12 Q12852 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL8683965 0.73 NSD2 (0.37) NSD2CASP6
SCHEMBL29419405 0.72 PIK3CA (0.48) PIK3CAMTORPIK3R1MAP3K12ALOX5AP
SCHEMBL9072420 0.71 FEN1 (0.38) PIK3CAMTORALOX5APFEN1
SCHEMBL31000082 0.71 MTOR (0.36) PIK3CAMTORPIK3R1ALOX5APFEN1
SCHEMBL8683278 0.69 UHRF1 (0.47) NSD2CASP6NOS3NOS2
SCHEMBL16680337 0.69 NPC1 (0.36) PIK3CAMTORALOX5APFEN1
SCHEMBL16679255 0.68 FEN1 (0.37) MTORALOX5APFEN1
SCHEMBL16679256 0.68 FEN1 (0.37) MTORALOX5APFEN1
SCHEMBL16690765 0.68 FEN1 (0.37) MTORALOX5APFEN1
SCHEMBL16686404 0.66 FEN1 (0.35) ALOX5APFEN1

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 3 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
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 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 (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 NSD2 4292/4885CASP6 840/4885PIK3CA 701/4885

“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.