SCHEMBL4092481

SCHEMBL4092481

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NC(=O)C(F)(F)F)cc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 5/20 0.55
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA2B P29275 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL3976949 0.92 PCK1 (0.53) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3976936 0.91 PCK1 (0.45) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3978051 0.89 PCK1 (0.50) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3985140 0.87 PCK1 (0.47) PCK1ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL4615945 0.86 KDM4E (0.40) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3980114 0.85 MEN1 (0.43) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3978657 0.85 PCK1 (0.51) PCK1
SCHEMBL4613157 0.85 KMT2A (0.42) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3987439 0.85 PCK1 (0.45) PCK1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4613291 0.84 MEN1 (0.42) PCK1KDM4EALDH1A1MEN1KMT2A

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 14/4885KDM4E 2068/4885ALDH1A1 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.