SCHEMBL6097423

SCHEMBL6097423

CC(=O)Nc1ncccc1C(=O)N(C)c1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 8/20 0.39
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
MET P08581 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ROCK2 O75116 3/20 0.30

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
SCHEMBL3982223 0.90 PCK1 (0.35) PCK1METLMNAMAPT
SCHEMBL3982926 0.90 PCK1 (0.36) PCK1OPRM1OPRL1METMAPT
SCHEMBL3977456 0.90 PCK1 (0.35) PCK1METLMNAMAPT
SCHEMBL3979536 0.87 PCK1 (0.41) PCK1OPRM1OPRL1
SCHEMBL3980272 0.86 PCK1 (0.41) PCK1
SCHEMBL3978799 0.84 PCK1 (0.37) PCK1
SCHEMBL3978805 0.84 PCK1 (0.38) PCK1MAPT
SCHEMBL3978661 0.84 PCK1 (0.53) PCK1
SCHEMBL6098692 0.83 PCK1 (0.36) PCK1
SCHEMBL6098947 0.83 PCK1 (0.37) 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 4 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 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 14/4885OPRM1 2721/4885OPRL1 4104/4885

“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.