SCHEMBL3979221

SCHEMBL3979221

CCCCn1c(N)cc(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
CYP3A4 P08684 2/20 0.63
ALDH1A1 P00352 3/20 0.48
ADORA3 P0DMS8 2/20 0.44
ADRA2A P08913 1/20 0.44
C5AR1 P21730 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6446786 0.94 CYP3A4 (0.68) HPGDCYP3A4ALDH1A1ADORA3ADRA2A
SCHEMBL4760053 0.86 CYP3A4 (0.71) HPGDCYP3A4ALDH1A1ADORA3C5AR1
SCHEMBL1031237 0.85 HPGD (0.73) HPGDCYP3A4ALDH1A1C5AR1L3MBTL1
SCHEMBL2336285 0.83 ALDH1A1 (0.45) HPGDCYP3A4ALDH1A1ADRA2AL3MBTL1
SCHEMBL10561004 0.80 HPGD (0.49) HPGDCYP3A4ALDH1A1ADORA3ADRA2A
SCHEMBL3240884 0.79 HPGD (0.54) HPGDCYP3A4ADORA3
SCHEMBL29738657 0.79 ADRA2A (0.45) HPGDCYP3A4ALDH1A1ADRA2A
SCHEMBL29142975 0.78 CYP3A4 (1.00) HPGDCYP3A4ALDH1A1ADORA3C5AR1
SCHEMBL3977468 0.78 SMN1; SMN2 (0.48) HPGDCYP3A4ALDH1A1ADORA3L3MBTL1
SCHEMBL7178960 0.77 ADORA2B (0.47) HPGDCYP3A4ALDH1A1ADRA2ABCHE

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 9 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-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-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
EP-1510545-A2 1,3 substituted 6-aminouraciles to stabilize halogenated polymers Wehner, Wolfgang, Dr. (DE) 2005-03-02 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
US-6274654-B1 1,3-Disubstituted 6-aminouracils for stabilizing halogenated polymers WITCO VINYL ADDITIVES GMBH (DE) 2001-08-14 US disclosed
EP-0967245-A1 1,3 substituted 6-aminouraciles to stabilize halogenated polymers Witco Vinyl Additives GmbH (DE) 1999-12-29 EP 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 HPGD 469/4885CYP3A4 86/4885ALDH1A1 297/4885

“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.