SCHEMBL5765199

SCHEMBL5765199

CCOC(=O)c1cnc(C(=O)c2cccc(OC(C)C)c2)c2cc(OC)c(OCCN3CCCC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.48
PDGFRB P09619 6/20 0.46
CSF1R P07333 4/20 0.46
FLT3 P36888 4/20 0.46
KIT P10721 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
KDR P35968 5/20 0.43
EGFR P00533 3/20 0.43
DPP4 P27487 5/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
FLT4 P35916 3/20 0.42
PLK4 O00444 1/20 0.42
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
STK10 O94804 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL6108733 0.91 GFPT1 (0.51) GFPT1PDGFRBCSF1RFLT3KIT
Hydrochloric Acid SCHEMBL5745044 0.90 GFPT1 (0.50) GFPT1PDGFRBCSF1RFLT3KIT
SCHEMBL5745115 0.89 GFPT1 (0.58) GFPT1DPP4
SCHEMBL5744916 0.87 GFPT1 (0.52) GFPT1PDGFRBDPP4
SCHEMBL5745720 0.87 GFPT1 (0.52) GFPT1DPP4
SCHEMBL5745412 0.86 GFPT1 (0.51) GFPT1DPP4
SCHEMBL5764806 0.84 NPSR1 (0.49) PDGFRBCSF1RFLT3NPSR1KDR
SCHEMBL5746100 0.84 DPP4 (0.53) GFPT1DPP4
SCHEMBL5745915 0.83 GFPT1 (0.51) GFPT1DPP4
Hydrochloric Acid SCHEMBL5745157 0.83 NPSR1 (0.51) PDGFRBCSF1RFLT3NPSR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US 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 1/4885PDGFRB 1671/4885CSF1R 394/4885

“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.