SCHEMBL3977690

SCHEMBL3977690

CC(=O)Nc1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 15/20 0.52
NR3C1 P04150 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL3982176 0.98 PCK1 (0.50) PCK1NR3C1MEN1HTTKMT2A
SCHEMBL3978661 0.97 PCK1 (0.53) PCK1NR3C1MEN1HTTKMT2A
SCHEMBL4613199 0.90 PCK1 (0.47) PCK1MEN1KMT2A
SCHEMBL3987448 0.90 PCK1 (0.43) PCK1MEN1HTTKMT2A
SCHEMBL3978657 0.90 PCK1 (0.51) PCK1PARP1
SCHEMBL3981417 0.89 PCK1 (0.43) PCK1NR3C1MEN1HTTKMT2A
SCHEMBL3978241 0.89 PCK1 (0.43) PCK1MEN1HTTKMT2A
SCHEMBL3982210 0.88 PCK1 (0.42) PCK1NR3C1MEN1HTTKMT2A
SCHEMBL3981170 0.87 PCK1 (0.56) PCK1KMT2A
SCHEMBL3981051 0.87 PCK1 (0.42) PCK1NR3C1MEN1HTTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US claimed
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 14/4885NR3C1 859/4885MEN1 2857/4885

“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.