SCHEMBL3978792

SCHEMBL3978792

CC(=O)Nc1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 4/20 0.42
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP1 O94782 1/20 0.36
HTT P42858 1/20 0.36
DPP4 P27487 1/20 0.36
NR3C2 P08235 1/20 0.35
ADORA2B P29275 1/20 0.34
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 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
SCHEMBL3985334 0.92 PCK1 (0.42) PCK1PARP1MEN1KMT2AUSP1
SCHEMBL3985140 0.90 PCK1 (0.47) PCK1ADORA2B
SCHEMBL3987357 0.90 PCK1 (0.41) PCK1PARP1KDM4EMEN1KMT2A
SCHEMBL3976949 0.89 PCK1 (0.53) PCK1PARP1KDM4EMEN1KMT2A
SCHEMBL3980844 0.89 PCK1 (0.41) PCK1PARP1MEN1KMT2AUSP1
SCHEMBL3978661 0.88 PCK1 (0.53) PCK1PARP1MEN1KMT2AHTT
SCHEMBL3987439 0.88 PCK1 (0.45) PCK1PARP1KDM4EMEN1KMT2A
SCHEMBL4285441 0.88 PCK1 (0.42) PCK1PARP1MEN1KMT2AHTT
SCHEMBL3978051 0.87 PCK1 (0.50) PCK1MAPTPARP1KDM4EMEN1
SCHEMBL3986615 0.87 PARP1 (0.43) PCK1PARP1MEN1KMT2AHTT

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 14/4885TP53 4191/4885MAPT 3897/4885

“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.