SCHEMBL4455771

SCHEMBL4455771

COc1ccc(-c2cnc3nc(NC(C)=O)nc(-c4nc[nH]n4)c3n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
STK17B O94768 2/20 0.45
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SYK P43405 1/20 0.42
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
STK17A Q9UEE5 1/20 0.41
NOS1 P29475 3/20 0.40
PDPK1 O15530 3/20 0.40

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 0.88 ALDH1A1 (0.47) ADORA3MAPK1ALDH1A1DYRK1ADYRK1B
SCHEMBL3925325 0.86 ADORA3 (0.48) ADORA3MAPK1MEN1KMT2AALDH1A1
SCHEMBL3760315 0.85 NOS1 (0.41) ADORA3MAPK1MEN1KMT2AALDH1A1
SCHEMBL6061031 0.82 ADORA3 (0.52) ADORA3STK17BMAPK1MEN1KMT2A
SCHEMBL4526080 0.82 GAK (0.48) ADORA3MAPK1DYRK1ADYRK1BPIK3CA
SCHEMBL4452166 0.80 LIG1 (0.44) ADORA3MAPK1ALDH1A1DYRK1ADYRK1B
SCHEMBL4108181 0.80 ADORA3 (0.41) ADORA3MAPK1MEN1KMT2AALDH1A1
SCHEMBL3336353 0.79 ACHE (0.47) ADORA3MAPK1MEN1KMT2AALDH1A1
SCHEMBL3924817 0.78 KMO (0.42) ADORA3MAPK1MEN1KMT2AALDH1A1
SCHEMBL5514817 0.78 ADORA3 (0.47) ADORA3STK17BMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA3 781/4885STK17B 2325/4885MAPK1 2381/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 ADORA3 740/4885STK17B 2809/4885MAPK1 2388/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 ADORA3 781/4885STK17B 2325/4885MAPK1 2381/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 ADORA3 1047/4885STK17B 844/4885MAPK1 2272/4885

“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.