SCHEMBL4454197

SCHEMBL4454197

COc1ccc(-c2cnc3nc(N)nc(N)c3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.72
PIK3CG P48736 4/20 0.68
DHFR P00374 4/20 0.55
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
XDH P47989 1/20 0.53
DYRK1A Q13627 1/20 0.50

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
SCHEMBL4451767 0.89 PIK3CG (0.68) NOS1PIK3CGDHFRALDH1A1HPGD
SCHEMBL5513451 0.84 NOS1 (1.00) NOS1PIK3CGDHFRALDH1A1HPGD
SCHEMBL7860933 0.84 PIK3CG (0.73) NOS1PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL3769694 0.83 NOS1 (0.67) NOS1PIK3CGDHFRALDH1A1HPGD
SCHEMBL5510798 0.82 NOS1 (0.63) NOS1PIK3CGDHFRALDH1A1HPGD
SCHEMBL5508074 0.81 NOS1 (1.00) NOS1PIK3CGDHFRALDH1A1HPGD
SCHEMBL3533505 0.81 PIK3CG (1.00) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL20572287 0.81 PIK3CG (0.73) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL8813951 0.80 PIK3CG (0.72) NOS1PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL5517100 0.80 NOS1 (0.98) NOS1PIK3CGALDH1A1HPGDXDH

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
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-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP 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 NOS1 141/4885PIK3CG 1880/4885DHFR 12/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 118/4885PIK3CG 1658/4885DHFR 15/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885PIK3CG 1880/4885DHFR 12/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885PIK3CG 2581/4885DHFR 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.