SCHEMBL4452166

SCHEMBL4452166

COc1ccc(-c2cnc3c(-c4nc[nH]n4)nc(NC(C)=O)nc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.44
ADORA3 P0DMS8 4/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
XDH P47989 1/20 0.42
FYN P06241 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
CHEK1 O14757 1/20 0.38
PRKDC P78527 1/20 0.38
ATR Q13535 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL4448818 0.92 ALDH1A1 (0.47) LIG1ADORA3ALDH1A1HPGDXDH
SCHEMBL3760315 0.81 NOS1 (0.41) ADORA3ALDH1A1HPGDXDHMAPT
SCHEMBL3931835 0.72 ADORA3 (0.41) ADORA3ALDH1A1HPGDKDM4EGAA
SCHEMBL4528265 0.71 ADORA3 (0.47) ADORA3ALDH1A1HPGDLMNAMAPT
SCHEMBL3925325 0.71 ADORA3 (0.48) ADORA3ALDH1A1FYNMAPTKDM4E
SCHEMBL11868177 0.71 ADORA3 (0.52) LIG1ADORA3ALDH1A1FYNLMNA
SCHEMBL4108181 0.70 ADORA3 (0.41) ADORA3ALDH1A1LMNAKDM4EPIK3CA
SCHEMBL3336353 0.67 ACHE (0.47) ADORA3ALDH1A1DYRK1ADYRK1BPIK3CA
SCHEMBL12840051 0.67 ADORA3 (0.53) LIG1ADORA3ALDH1A1FYNLMNA
SCHEMBL3924803 0.67 MAPK14 (0.39) ADORA3KDM4EGAADYRK1ADYRK1B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP claimed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US claimed
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US disclosed
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 US disclosed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US disclosed
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-12-21 US disclosed
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 US disclosed
EP-1663244-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-ALPHA-RELATED DISEASES. 4 AZA Bioscience nv (BE) 2006-06-07 EP disclosed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP disclosed
WO-2005025574-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-α-RELATED DISEASES. 4 AZA BIOSCIENCE NV (BE) 2005-03-24 WO disclosed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US 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 (4 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-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 LIG1 506/4885ADORA3 781/4885ALDH1A1 1257/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 LIG1 405/4885ADORA3 740/4885ALDH1A1 1631/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 LIG1 506/4885ADORA3 781/4885ALDH1A1 1257/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 LIG1 540/4885ADORA3 1047/4885ALDH1A1 3134/4885

“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.