SCHEMBL3758461

SCHEMBL3758461

CCOc1nc(N)nc2ncc(-c3ccsc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.43
PDE3A Q14432 1/20 0.41
PIK3CG P48736 3/20 0.40
GAK O14976 1/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHEK2 O96017 1/20 0.37
ATR Q13535 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL6060884 0.90 NOS1 (0.40) NOS1PDE3APIK3CGGAKPIK3CA
SCHEMBL4451864 0.84 CDK1 (0.40) NOS1PIK3CGGAKPIK3CAPIK3CB
SCHEMBL3759413 0.84 NOS1 (0.48) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3755599 0.82 NOS1 (0.52) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5523485 0.82 NOS1 (0.55) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760475 0.82 NOS1 (0.45) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4514930 0.81 PDE3A (0.42) PDE3AGAKCHEK2NPC1
SCHEMBL4456209 0.81 NOS1 (0.57) NOS1PIK3CGNPC1
SCHEMBL3755577 0.81 NOS1 (0.61) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3757302 0.81 NOS1 (0.44) NOS1PIK3CGPIK3CAPIK3CBHDAC6

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US claimed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
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-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP 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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US disclosed
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US disclosed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 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 (6 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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PDE3A 2766/4885PIK3CG 2660/4885
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885PDE3A 2139/4885PIK3CG 1880/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PDE3A 2766/4885PIK3CG 2660/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885PDE3A 2139/4885PIK3CG 1880/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PDE3A 2766/4885PIK3CG 2660/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885PDE3A 1366/4885PIK3CG 2581/4885

“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.