SCHEMBL3984002

SCHEMBL3984002

CCCCn1c(=O)[nH]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
TPH1 P17752 5/20 0.48
TPH2 Q8IWU9 5/20 0.48
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
PCK1 P35558 1/20 0.42
KDM4E B2RXH2 4/20 0.42
RGS12 O14924 1/20 0.42
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
KDM4A O75164 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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 0.79 PCK1 (0.50) ALDH1A1MEN1KMT2APCK1KDM4E
SCHEMBL3982932 0.77 PCK1 (0.50) ALDH1A1MEN1KMT2AGAAPCK1
SCHEMBL3980331 0.77 PCK1 (0.48) ALDH1A1KMT2ANPSR1PCK1SMN1; SMN2
SCHEMBL3987282 0.77 PCK1 (0.49) ALDH1A1KMT2APCK1KDM4EHSD17B10
SCHEMBL3982933 0.77 PCK1 (0.43) TPH1TPH2ALDH1A1MEN1KMT2A
SCHEMBL3987284 0.76 PCK1 (0.43) TPH1TPH2ALDH1A1MEN1KMT2A
SCHEMBL3980333 0.76 MEN1 (0.42) TPH1TPH2ALDH1A1MEN1KMT2A
SCHEMBL3981130 0.75 PCK1 (0.42) TPH1TPH2ALDH1A1MEN1KMT2A
SCHEMBL3986626 0.74 PCK1 (0.63) TPH1TPH2MEN1KMT2APCK1
SCHEMBL6390388 0.71 PCK1 (0.51) TPH1TPH2ALDH1A1MEN1KMT2A

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 6 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
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 TPH1 1410/4885TPH2 1798/4885ALDH1A1 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.