SCHEMBL5745274

SCHEMBL5745274

COc1cc2c(CN)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.40
PDE10A Q9Y233 2/20 0.40
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
DPP4 P27487 4/20 0.40
DHFR P00374 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
Hydrochloric Acid SCHEMBL5742666 0.99 GFPT1 (0.67) GFPT1L3MBTL1PDE10AAPAF1NSD2
Trifluoroacetic Acid SCHEMBL5768365 0.94 GFPT1 (0.70) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL5744819 0.91 GFPT1 (0.69) GFPT1L3MBTL1PDE10AAPAF1NSD2
Hydrochloric Acid SCHEMBL5745551 0.90 GFPT1 (0.56) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL1367662 0.90 GFPT1 (0.66) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL1366610 0.89 GFPT1 (0.67) GFPT1PTGDR2
SCHEMBL5744435 0.88 GFPT1 (0.64) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL5745096 0.88 GFPT1 (0.66) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL5742886 0.87 GFPT1 (0.65) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL6107805 0.86 GFPT1 (0.72) GFPT1L3MBTL1PDE10AAPAF1NSD2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100540537-C GFAT inhibitors HOFFMANN LA ROCHE (CH) 2009-09-16 CN claimed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US claimed
CN-1791581-A Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN claimed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP claimed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US claimed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO claimed
CN-100540537-C GFAT inhibitors HOFFMANN LA ROCHE (CH) 2009-09-16 CN disclosed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US disclosed
CN-1791581-A Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 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-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS GFPT1 1/4885L3MBTL1 3203/4885PDE10A 2359/4885

“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.