SCHEMBL4451350

SCHEMBL4451350

Nc1nc(N2CCOCC2)c2nc(-c3ccc(OCc4ccccc4)cc3)cnc2n1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.76
PRMT5 O14744 4/20 0.52
MGMT P16455 1/20 0.50
PRKDC P78527 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
ADK P55263 2/20 0.44
MC4R P32245 1/20 0.43
CYP11B2 P19099 1/20 0.42
WDR5 P61964 1/20 0.41

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
SCHEMBL3765187 0.93 NOS1 (0.67) NOS1PRMT5MGMTPRKDCALDH1A1
SCHEMBL4451827 0.91 NOS1 (0.73) NOS1PRMT5MGMTPRKDCTSHR
SCHEMBL3763446 0.89 NOS1 (0.70) NOS1PRMT5MGMTALDH1A1TSHR
SCHEMBL3763691 0.88 NOS1 (0.82) NOS1ALDH1A1KDM4EADK
SCHEMBL3762228 0.87 NOS1 (0.95) NOS1ALDH1A1MAPK1ADK
SCHEMBL5317835 0.87 NOS1 (1.00) NOS1ALDH1A1HSD17B10MAPK1ADK
SCHEMBL4462330 0.86 NOS1 (0.81) NOS1ALDH1A1HSD17B10KDM4EHPGD
Water SCHEMBL6491267 0.86 NOS1 (0.98) NOS1ALDH1A1HSD17B10MAPK1ADK
SCHEMBL3755533 0.85 NOS1 (0.76) NOS1TSHRHSD17B10MAPK1ADK
SCHEMBL3764114 0.85 NOS1 (0.66) NOS1MGMTALDH1A1HPGD

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 118/4885PRMT5 1291/4885MGMT 523/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885PRMT5 1493/4885MGMT 1599/4885

“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.