SCHEMBL5518262

SCHEMBL5518262

COc1ccc(-c2cnc3nc(N)nc(N(Cc4ccccc4)Cc4ccccc4)c3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 10/20 1.00
DHFR P00374 2/20 0.52
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
XDH P47989 1/20 0.42
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
ATR Q13535 1/20 0.41
PARP1 P09874 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL5514521 0.89 NOS1 (1.00) NOS1DHFRPIK3CG
SCHEMBL28744912 0.88 NOS1 (0.84) NOS1DHFRPIK3CGATR
Water SCHEMBL6486067 0.88 NOS1 (0.97) NOS1DHFRPIK3CG
SCHEMBL5508808 0.87 NOS1 (1.00) NOS1DHFRALDH1A1HPGDPIK3CG
Water SCHEMBL6483831 0.86 NOS1 (0.98) NOS1DHFRALDH1A1HPGDPIK3CG
Water SCHEMBL6483834 0.86 NOS1 (0.98) NOS1DHFRALDH1A1HPGDPIK3CG
SCHEMBL5512870 0.86 NOS1 (0.84) NOS1DHFRPIK3CGATR
SCHEMBL5508074 0.85 NOS1 (1.00) NOS1DHFRALDH1A1HPGDXDH
Water SCHEMBL6484879 0.85 NOS1 (0.83) NOS1DHFRPIK3CGATR
SCHEMBL5514365 0.85 NOS1 (0.82) NOS1DHFR

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
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
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
CN-1283641-C Pteridine derivatives with nitric oxide synthase inhibitor function UNIV CHINA PHARMA (CN) 2006-11-08 CN 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
CN-1546491-A Pteridine derivatives with nitric oxide synthase inhibitor function 中国药科大学 2004-11-17 CN 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
EP-1144412-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2001-10-17 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
WO-2000039129-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-07-06 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 141/4885DHFR 12/4885ALDH1A1 1257/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885DHFR 12/4885ALDH1A1 1257/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885DHFR 19/4885ALDH1A1 3134/4885

“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.