SCHEMBL3978815

SCHEMBL3978815

NC(=O)c1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.41
PCK1 P35558 7/20 0.39
PIK3CA P42336 3/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.35
F11 P03951 4/20 0.35
KLKB1 P03952 4/20 0.35
F10 P00742 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL4614415 0.96 F11 (0.40) MTORPCK1PIK3CAPIK3CBPIK3CG
SCHEMBL4614579 0.91 PCK1 (0.38) MTORPCK1PIK3CAPIK3CBPIK3CG
SCHEMBL3980863 0.90 PCK1 (0.42) PCK1F11KLKB1
SCHEMBL6279236 0.87 PCK1 (0.42) MTORPCK1
SCHEMBL3978661 0.86 PCK1 (0.53) PCK1
SCHEMBL3980114 0.85 MEN1 (0.43) PCK1ADORA2AADORA2B
SCHEMBL3979620 0.85 PCK1 (0.39) MTORPCK1
SCHEMBL3978694 0.85 PCK1 (0.37) PCK1PKM
SCHEMBL6277476 0.85 PCK1 (0.39) PCK1F10PKM
Hydrochloric Acid SCHEMBL4613291 0.85 MEN1 (0.42) PCK1ADORA2AADORA2B

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 20 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 claimed
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP claimed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US claimed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP claimed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP claimed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US claimed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO claimed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US claimed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO claimed
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
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO 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 (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 MTOR 1309/4885PCK1 14/4885PIK3CA 2823/4885
US-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 MTOR 1134/4885PCK1 36/4885PIK3CA 2912/4885

“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.