SCHEMBL3980633

SCHEMBL3980633

CCCCn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]c(Cc3ccc(N)cc3)nc21

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 7/20 0.78
ADORA2B P29275 5/20 0.58
ADORA2A P29274 4/20 0.58
ADORA1 P30542 1/20 0.53

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
SCHEMBL4614794 0.89 PCK1 (0.63) PCK1ADORA2BADORA2AADORA1
SCHEMBL3976954 0.88 PCK1 (1.00) PCK1
Hydrochloric Acid SCHEMBL4613300 0.87 PCK1 (0.98) PCK1
SCHEMBL3978217 0.86 PCK1 (0.59) PCK1ADORA2BADORA2AADORA1
SCHEMBL3980100 0.85 PCK1 (0.80) PCK1ADORA2BADORA2A
SCHEMBL4613265 0.85 PCK1 (0.62) PCK1ADORA2BADORA2AADORA1
SCHEMBL4419729 0.85 ADORA2B (0.64) PCK1ADORA2BADORA2AADORA1
SCHEMBL3981161 0.85 PCK1 (0.58) PCK1ADORA2BADORA2AADORA1
Trifluoroacetic Acid SCHEMBL4615947 0.84 PCK1 (0.87) PCK1
SCHEMBL14454049 0.84 ADORA2B (0.62) PCK1ADORA2BADORA2AADORA1

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 6 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
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US 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 (2 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 14/4885ADORA2B 931/4885ADORA2A 403/4885
US-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 PCK1 36/4885ADORA2B 1069/4885ADORA2A 549/4885

“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.