SCHEMBL3987284

SCHEMBL3987284

CCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1ccc(NC(C)=O)cc1)n2C(Cc1cc(OC)ccc1F)OC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 3/20 0.43
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TPH1 P17752 4/20 0.37
TPH2 Q8IWU9 4/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.35
RGS12 O14924 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3982933 0.92 PCK1 (0.43) PCK1MEN1KMT2AGAANPSR1
SCHEMBL3981130 0.90 PCK1 (0.42) PCK1MEN1KMT2AGAANPSR1
SCHEMBL3980333 0.82 MEN1 (0.42) PCK1MEN1KMT2AGAANPSR1
SCHEMBL3987282 0.78 PCK1 (0.49) PCK1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3984002 0.76 TPH1 (0.48) PCK1MEN1KMT2AGAANPSR1
SCHEMBL3986470 0.74 PCK1 (0.43) PCK1MEN1KMT2AALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL3983062 0.73 PCK1 (0.41) PCK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3986468 0.71 PCK1 (0.78) PCK1
Trifluoroacetic Acid SCHEMBL3983059 0.70 PCK1 (0.72) PCK1
SCHEMBL3982932 0.69 PCK1 (0.50) PCK1MEN1KMT2AGAAALDH1A1

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 14/4885MEN1 2857/4885KMT2A 2893/4885

“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.