SCHEMBL3977758

SCHEMBL3977758

CCCCn1c(=O)n(Cc2cccc(F)c2)c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc21

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 10/20 0.76
RXFP1 Q9HBX9 1/20 0.56
ADORA2B P29275 6/20 0.49
ADORA1 P30542 4/20 0.48
ADORA2A P29274 3/20 0.48
PDE5A O76074 1/20 0.47
ADORA3 P0DMS8 2/20 0.46

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
SCHEMBL3980100 0.90 PCK1 (0.80) PCK1RXFP1ADORA2BADORA2APDE5A
SCHEMBL3980809 0.89 PCK1 (0.83) PCK1RXFP1ADORA2B
SCHEMBL3976945 0.86 PCK1 (1.00) PCK1RXFP1
SCHEMBL5035051 0.84 PCK1 (0.73) PCK1RXFP1ADORA2BADORA1ADORA2A
SCHEMBL3981235 0.84 PCK1 (0.83) PCK1RXFP1ADORA2BADORA2APDE5A
SCHEMBL3979856 0.83 PCK1 (0.80) PCK1RXFP1ADORA2BPDE5A
SCHEMBL3978048 0.83 PCK1 (0.94) PCK1RXFP1
SCHEMBL3982786 0.83 PCK1 (0.73) PCK1RXFP1ADORA2BPDE5A
SCHEMBL3986468 0.82 PCK1 (0.78) PCK1RXFP1ADORA2BADORA1PDE5A
SCHEMBL3977480 0.81 PCK1 (0.70) PCK1RXFP1ADORA2BADORA1ADORA2A

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 14/4885RXFP1 296/4885ADORA2B 931/4885

“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.