SCHEMBL5510752

SCHEMBL5510752

CCCN(CCC)c1nc(N)nc2ncc(-c3ccccc3)nc12

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.72
PIK3CG P48736 3/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NOS3 P29474 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NLRP3 Q96P20 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 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
Water SCHEMBL6484322 0.99 NOS1 (0.70) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5512351 0.90 NOS1 (0.75) NOS1PIK3CGPIK3CAPIK3CBHDAC6
Water SCHEMBL6484545 0.89 NOS1 (0.73) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5514510 0.88 NOS1 (0.68) NOS1PIK3CGPIK3CAPIK3CBHDAC6
Water SCHEMBL6491206 0.87 NOS1 (0.67) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5507605 0.86 NOS1 (0.83) NOS1PIK3CGNOS3ALDH1A1
Water SCHEMBL6481030 0.85 NOS1 (0.81) NOS1PIK3CGNOS3ALDH1A1
SCHEMBL5514521 0.84 NOS1 (1.00) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5514818 0.83 NOS1 (0.78) NOS1PIK3CGPIK3CAPIK3CBHDAC6
Water SCHEMBL6486067 0.82 NOS1 (0.97) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 EP claimed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US claimed
EP-1144412-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2001-10-17 EP claimed
WO-2000039129-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-07-06 WO claimed
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 US 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-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 US disclosed
EP-1216246-B1 N-SUBSTITUTED 4-AMINOPTERIDINES, SYNTHESIS AND USE THEREOF AS PHARMACEUTICAL AGENT VASOPHARM BIOTECH GMBH & CO KG (DE) 2005-08-24 EP disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US disclosed
EP-1216246-A1 N-SUBSTITUTED 4-AMINOPTERIDINES, SYNTHESIS AND USE THEREOF AS PHARMACEUTICAL AGENT Vasopharm Biotech GmbH & Co. KG (DE) 2002-06-26 EP disclosed
WO-2001021619-A1 N-SUBSTITUTED 4-AMINOPTERIDINES, SYNTHESIS AND USE THEREOF AS PHARMACEUTICAL AGENT VASOPHARM BIOTECH GMBH & CO. KG (DE) 2001-03-29 WO 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 (3 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 1880/4885PIK3CA 1012/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885PIK3CG 1880/4885PIK3CA 1012/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885PIK3CG 2581/4885PIK3CA 1296/4885

“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.