SCHEMBL3980331

SCHEMBL3980331

CCCCn1c(=O)n(Cc2ccccc2O[Si](C)(C)C(C)(C)C)c(=O)c2c1nc(Cc1ccc(NC(C)=O)cc1)n2COC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 7/20 0.48
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
GPR18 Q14330 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE7A Q13946 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13844865 0.92 PCK1 (0.50) PCK1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL3982932 0.82 PCK1 (0.50) PCK1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL3987282 0.81 PCK1 (0.49) PCK1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL6427197 0.81 PCK1 (0.73) PCK1ADORA2AADORA2BRXFP1
SCHEMBL3981819 0.80 PCK1 (0.72) PCK1ADORA2AADORA2BRXFP1
SCHEMBL3980333 0.78 MEN1 (0.42) PCK1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL3984002 0.77 TPH1 (0.48) PCK1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL3981235 0.66 PCK1 (0.83) PCK1ADORA2AADORA2BRXFP1
SCHEMBL3976945 0.65 PCK1 (1.00) PCK1RXFP1
SCHEMBL3981821 0.64 PCK1 (0.40) PCK1ALDH1A1KMT2ANPC1ADORA2A

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
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL PCK1 14/4885TSHR 1344/4885ALDH1A1 297/4885

“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.