SCHEMBL4451767

SCHEMBL4451767

COc1ccc(-c2cnc3c(N)nc(N)nc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.68
NOS1 P29475 5/20 0.61
DHFR P00374 2/20 0.55
DYRK1A Q13627 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
XDH P47989 1/20 0.47
LIG1 P18858 1/20 0.47

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
SCHEMBL4454197 0.89 NOS1 (0.72) PIK3CGNOS1DHFRDYRK1AALDH1A1
SCHEMBL4451388 0.82 NOS1 (0.54) PIK3CGNOS1DHFRDYRK1AALDH1A1
SCHEMBL3748026 0.81 PIK3CG (1.00) PIK3CGDYRK1A
SCHEMBL11445136 0.80 PIK3CG (0.72) PIK3CGNOS1DHFRALDH1A1HPGD
SCHEMBL11372127 0.77 DHFR (0.73) PIK3CGDHFRDYRK1AALDH1A1HPGD
SCHEMBL5513451 0.76 NOS1 (1.00) PIK3CGNOS1DHFRDYRK1AALDH1A1
SCHEMBL3769694 0.75 NOS1 (0.67) PIK3CGNOS1DHFRDYRK1AALDH1A1
SCHEMBL13401704 0.74 PARP1 (0.47) PIK3CGNOS1ALDH1A1HPGDXDH
SCHEMBL3736445 0.74 PIK3CG (1.00) PIK3CGDYRK1A
SCHEMBL6700344 0.74 ATR (0.54) NOS1DYRK1AALDH1A1

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 PIK3CG 1880/4885NOS1 141/4885DHFR 12/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 PIK3CG 1658/4885NOS1 118/4885DHFR 15/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 PIK3CG 1880/4885NOS1 141/4885DHFR 12/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 PIK3CG 2581/4885NOS1 47/4885DHFR 19/4885

“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.