SCHEMBL3979536

SCHEMBL3979536

CC(=O)Nc1ccc(C(=O)N(C)c2ccc(C(Cc3ccccc3F)c3nc4c([nH]3)c(=O)[nH]c(=O)n4CC3CC3)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 8/20 0.41
MLNR O43193 2/20 0.33
OPRM1 P35372 4/20 0.32
OPRL1 P41146 4/20 0.32
MTOR P42345 3/20 0.32
PIK3CA P42336 1/20 0.32
GRIN2B Q13224 1/20 0.32
ECE1 P42892 1/20 0.32
RIPK1 Q13546 1/20 0.31

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
SCHEMBL3980519 0.91 PCK1 (0.36) PCK1MLNRMTORPIK3CA
SCHEMBL3978805 0.91 PCK1 (0.38) PCK1MLNRMTORPIK3CA
SCHEMBL3978683 0.90 PCK1 (0.36) PCK1MLNRMTORPIK3CA
SCHEMBL3979642 0.89 PCK1 (0.35) PCK1MLNRMTORPIK3CA
SCHEMBL3978897 0.89 PCK1 (0.37) PCK1MLNROPRM1OPRL1MTOR
SCHEMBL3978799 0.88 PCK1 (0.37) PCK1
SCHEMBL6097423 0.87 PCK1 (0.39) PCK1OPRM1OPRL1
SCHEMBL6097370 0.86 PCK1 (0.38) PCK1
SCHEMBL3979620 0.86 PCK1 (0.39) PCK1MLNRMTOR
SCHEMBL3978661 0.86 PCK1 (0.53) PCK1

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 10 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-1463823-A4 METHODS OF INCREASING ENDOGENOUS ERYTHROPOIETIN (EPO) FIBROGEN INC (US) 2005-11-16 EP disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
EP-1463823-A2 METHODS OF INCREASING ENDOGENOUS ERYTHROPOIETIN (EPO) FIBROGEN, INC. (US) 2004-10-06 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
WO-2003053997-A2 METHODS OF INCREASING ENDOGENOUS ERYTHROPOIETIN (EPO) FIBROGEN, INC. (US) 2003-07-03 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 14/4885MLNR 1727/4885OPRM1 2721/4885

“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.