SCHEMBL4452145

SCHEMBL4452145

CCOc1nc(N)nc2ncc(-c3ccc(C(C)=O)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.47
NOS1 P29475 11/20 0.47
ATR Q13535 2/20 0.42
PIK3CA P42336 2/20 0.39
PIK3CB P42338 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CREBBP Q92793 1/20 0.39
AGPAT2 O15120 1/20 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
SCHEMBL3755444 0.91 PIK3CG (0.47) PIK3CGNOS1ATR
SCHEMBL6063491 0.89 GRIN2B (0.40) PIK3CGNOS1ATRPIK3CAPIK3CB
SCHEMBL3755372 0.89 NPC1 (0.47) PIK3CGNOS1
SCHEMBL3769952 0.89 NOS1 (0.47) PIK3CGNOS1PIK3CA
SCHEMBL3752734 0.88 NOS1 (0.49) PIK3CGNOS1
SCHEMBL3764228 0.88 PRKDC (0.46) PIK3CGNOS1ATRPIK3CA
SCHEMBL20985861 0.87 PIK3CG (0.44) PIK3CGNOS1PIK3CAHDAC6
SCHEMBL3763567 0.87 NOS1 (0.48) PIK3CGNOS1
SCHEMBL3760889 0.86 NOS1 (0.46) PIK3CGNOS1ATR
SCHEMBL3763004 0.86 NOS1 (0.43) PIK3CGNOS1ATRPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 US claimed
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
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 claimed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP claimed
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 claimed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO claimed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 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 PIK3CG 1880/4885NOS1 141/4885ATR 3275/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 PIK3CG 1658/4885NOS1 118/4885ATR 3219/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 PIK3CG 1880/4885NOS1 141/4885ATR 3275/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 PIK3CG 2581/4885NOS1 47/4885ATR 2007/4885

“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.