SCHEMBL4451655

SCHEMBL4451655

CCCOc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.78
ADK P55263 3/20 0.45
BCHE P06276 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
GAK O14976 1/20 0.43
PIK3CA P42336 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
YES1 P07947 1/20 0.40
PIM1 P11309 1/20 0.40
KDR P35968 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
MET P08581 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL4450139 0.96 NOS1 (0.78) NOS1ADKBCHEMAOAACHE
SCHEMBL4462330 0.92 NOS1 (0.81) NOS1ADKGAKMEN1KMT2A
SCHEMBL4458120 0.91 NOS1 (0.80) NOS1ADKBCHEMAOAACHE
SCHEMBL3755533 0.91 NOS1 (0.76) NOS1ADKBCHEMAOAACHE
SCHEMBL3755734 0.88 NOS1 (1.00) NOS1ADKGAKPIK3CAMAPK1
SCHEMBL4451827 0.87 NOS1 (0.73) NOS1ADKBCHEMAOAACHE
Dimethylamine SCHEMBL3769858 0.86 NOS1 (0.63) NOS1ADKGAKPIK3CA
Hydrochloric Acid SCHEMBL6484401 0.86 NOS1 (0.96) NOS1ADKGAKPIK3CAMAPK1
SCHEMBL3760307 0.85 NOS1 (0.73) NOS1ADKBCHEMAOAACHE
SCHEMBL3766437 0.85 NOS1 (0.79) NOS1ADKGAKPIK3CAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US claimed
EP-1658081-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA IP NV (BE) 2007-10-24 EP 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
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US disclosed
EP-1658081-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA IP NV (BE) 2007-10-24 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 118/4885ADK 2848/4885BCHE 3171/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885ADK 1148/4885BCHE 1806/4885

“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.