SCHEMBL5507995

SCHEMBL5507995

CN1CCN(c2nc(N)nc3ncc(-c4ccc(Cl)cc4)nc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.61
HRH4 Q9H3N8 10/20 0.55
HTR6 P50406 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ADK P55263 1/20 0.48
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45
PIK3CG P48736 1/20 0.44

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 SCHEMBL6483784 0.99 NOS1 (0.60) NOS1HRH4HTR6HRH3ADK
Water SCHEMBL6483779 0.99 NOS1 (0.60) NOS1HRH4HTR6HRH3ADK
SCHEMBL3765486 0.88 NOS1 (0.61) NOS1HRH4HRH3ROCK2ROCK1
SCHEMBL5521369 0.88 NOS1 (0.78) NOS1HRH4ADKROCK2ROCK1
SCHEMBL5517015 0.88 NOS1 (0.78) NOS1HRH4ROCK2ROCK1
Water SCHEMBL6484324 0.87 NOS1 (0.76) NOS1HRH4ROCK2ROCK1
Water SCHEMBL6499540 0.87 NOS1 (0.76) NOS1HRH4ADKROCK2ROCK1
Water SCHEMBL6484321 0.87 NOS1 (0.76) NOS1HRH4ROCK2ROCK1
SCHEMBL5512278 0.86 NOS1 (0.82) NOS1HRH4
SCHEMBL5508882 0.86 NOS1 (0.79) NOS1ADKPIK3CG

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 16 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
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-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 141/4885HRH4 109/4885HTR6 1640/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885HRH4 109/4885HTR6 1640/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885HRH4 704/4885HTR6 2571/4885

“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.