SCHEMBL5758781

SCHEMBL5758781

COc1cc2c(C#N)cnc(C(=O)c3ccc(N(C)C)c4ccccc34)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EGFR P00533 12/20 0.39
▸ ERBB2 P04626 8/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ MAP2K1 Q02750 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SRC P12931 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL5413635 0.84 CDC25B (0.45) LMNAMAPTHTTNPSR1POLB
SCHEMBL5431261 0.77 MAPT (0.38) LMNAMAPTHTTNPSR1POLB
SCHEMBL5402882 0.71 CDC25B (0.60) LMNAMAPTHTTNPSR1SMN1; SMN2
SCHEMBL5745140 0.71 GFPT1 (0.48) LMNAMAPTHTTEGFRERBB2
SCHEMBL5744098 0.71 EGFR (0.52) MAPTNPSR1SMN1; SMN2EGFRERBB2
SCHEMBL5744897 0.70 GFPT1 (0.51) EGFRERBB2MAP2K1SRC
SCHEMBL5744902 0.69 GFPT1 (0.47) EGFRERBB2MAP2K1
SCHEMBL7467937 0.68 MAPT (0.42) LMNAMAPTHTTNPSR1POLB
SCHEMBL30104266 0.66 MAP2K1 (0.51) EGFRERBB2MAP2K1SRC
SCHEMBL5394717 0.66 CDC25B (0.49) EGFRERBB2CNR2

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
EP-1675845-A2 GLUTAMINE FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE (GFAT) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-05 — — EP disclosed
US-7037924-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-05-02 — — US disclosed
US-20050113407-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID R (US) 2005-05-26 — — US disclosed
WO-2005040150-A2 GLUTAMINE FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE (GFAT) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — 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-20050113407-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLUL LMNA 4835/4885MAPT 2258/4885HTT 2398/4885

“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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