SCHEMBL1278100

SCHEMBL1278100

COc1cc(NC2CCOCC2)c2[nH]c(C3=NC(CCO)CS3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.33
PDE6D O43924 1/20 0.33
PDE5A O76074 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE6H Q13956 1/20 0.33
TTK P33981 1/20 0.33
FYN P06241 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
MAPK1 P28482 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
MAOB P27338 1/20 0.30
HTR6 P50406 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
SCHEMBL1278099 1.00 PDE10A (0.33) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL1636042 0.92 CYP1A2 (0.31) TTK
SCHEMBL1277971 0.91 PDE6D (0.33) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL1277973 0.91 PDE6D (0.33) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL3023927 0.88 MAPK1 (0.31) MAPK1
SCHEMBL1277597 0.88 FGFR1 (0.33) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL1277947 0.88 FGFR1 (0.33) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL1277951 0.88 FGFR1 (0.33) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL1277599 0.88 FGFR1 (0.33) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL1278203 0.87 MAPK14 (0.33) MAPK1

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
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 US disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US disclosed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 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 (2 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-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 PDE10A 700/4885PDE6D 939/4885PDE5A 556/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 PDE10A 722/4885PDE6D 911/4885PDE5A 563/4885

“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.