SCHEMBL5744098

SCHEMBL5744098

COc1cc2c(C#N)cnc(C(=O)c3cccc(SC)c3)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.52
▸ ERBB2 P04626 9/20 0.51
▸ MAP2K1 Q02750 1/20 0.44
▸ GFPT1 Q06210 1/20 0.42
▸ APAF1 O14727 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40

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
SCHEMBL5745140 0.83 GFPT1 (0.48) EGFRERBB2GFPT1APAF1NSD2
SCHEMBL5744477 0.83 CASP3 (0.42) EGFRERBB2GFPT1APAF1NSD2
SCHEMBL5744897 0.82 GFPT1 (0.51) EGFRERBB2MAP2K1GFPT1APAF1
SCHEMBL5744902 0.81 GFPT1 (0.47) EGFRERBB2MAP2K1GFPT1APAF1
Trifluoroacetic Acid SCHEMBL5744660 0.78 GFPT1 (0.44) EGFRERBB2GFPT1APAF1NSD2
SCHEMBL6109223 0.77 GFPT1 (0.43) EGFRERBB2GFPT1APAF1NSD2
SCHEMBL5744265 0.71 GFPT1 (0.55) GFPT1APAF1NSD2CASP3SENP8
SCHEMBL5758781 0.71 LMNA (0.42) EGFRERBB2MAP2K1SMN1; SMN2MAPT
SCHEMBL6107565 0.70 GFPT1 (0.52) GFPT1APAF1NSD2CASP3SENP8
SCHEMBL5743882 0.70 GFPT1 (0.49) EGFRERBB2GFPT1APAF1NSD2

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 EGFR 2929/4885ERBB2 2423/4885MAP2K1 3715/4885

“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.

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