SCHEMBL4451094

SCHEMBL4451094

Nc1nc(N2CCOCC2)c2nc(-c3cccc(NC(=O)c4ccncc4)c3)cnc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.60
ATR Q13535 4/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
PIK3CA P42336 4/20 0.48
PIKFYVE Q9Y2I7 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 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
SCHEMBL4452271 0.93 NOS1 (0.68) NOS1ATRNPC1RAB9APIK3CA
SCHEMBL4451313 0.90 NOS1 (0.62) NOS1ATRPIK3CAMAPTHTT
SCHEMBL4461486 0.84 NOS1 (0.71) NOS1ATRPIK3CA
SCHEMBL3755264 0.83 NOS1 (0.63) NOS1ATRNPC1RAB9APIK3CA
SCHEMBL4448747 0.83 NOS1 (0.59) NOS1ATRNPC1RAB9AABL1
SCHEMBL4451105 0.82 NOS1 (0.61) NOS1ATRNPC1RAB9APIK3CA
SCHEMBL3766688 0.82 NOS1 (0.72) NOS1ATRPIK3CA
SCHEMBL3755477 0.82 NOS1 (0.68) NOS1ATRPIK3CA
SCHEMBL4449949 0.81 NOS1 (0.62) NOS1ATRNPC1RAB9AMAPT
SCHEMBL3762839 0.81 NOS1 (0.67) NOS1ATRPIK3CA

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 14 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-20060287314-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-12-21 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 118/4885ATR 3219/4885NPC1 1538/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885ATR 2007/4885NPC1 3142/4885

“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.