SCHEMBL3978897

SCHEMBL3978897

Cc1ccc(C(=O)N(C)c2ccc(C(Cc3ccccc3F)c3nc4c([nH]3)c(=O)[nH]c(=O)n4CC3CCC3)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 10/20 0.37
KMT2A Q03164 1/20 0.35
MTOR P42345 4/20 0.34
PIK3CA P42336 1/20 0.34
MLNR O43193 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
ABCC1 P33527 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
SCHEMBL3978805 0.97 PCK1 (0.38) PCK1KMT2AMTORPIK3CAMLNR
SCHEMBL3977561 0.92 KMT2A (0.34) PCK1KMT2AMTORPIK3CAOPRM1
SCHEMBL3980519 0.91 PCK1 (0.36) PCK1MTORPIK3CAMLNR
SCHEMBL3978683 0.90 PCK1 (0.36) PCK1MTORPIK3CAMLNR
SCHEMBL3979352 0.90 PCK1 (0.35) PCK1KMT2AMTORPIK3CAMLNR
SCHEMBL3979642 0.89 PCK1 (0.35) PCK1MTORPIK3CAMLNR
SCHEMBL3978799 0.89 PCK1 (0.37) PCK1
SCHEMBL3979536 0.89 PCK1 (0.41) PCK1MTORPIK3CAMLNROPRM1
SCHEMBL3979186 0.87 KDM4E (0.40) PCK1KMT2A
SCHEMBL3979468 0.86 PCK1 (0.37) PCK1KMT2A

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 14 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
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP 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
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1581480-A1 CYCLOPENTIL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASEV INHIBITORS Pfizer Limited (GB) 2005-10-05 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-1499598-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2005-01-26 EP disclosed
WO-2004056750-A1 CYCLOPENTIL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 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
WO-2003087064-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2003-10-23 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 14/4885KMT2A 2893/4885MTOR 1309/4885

“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.