SCHEMBL4454683

SCHEMBL4454683

COc1ccc(-c2cnc3nc(N)nc(C(C)S)c3n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.60
PIK3CG P48736 3/20 0.44
GAK O14976 1/20 0.43
SYK P43405 1/20 0.42
STK17B O94768 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL4449231 0.82 NOS1 (0.60) NOS1PIK3CGGAKSYKSTK17B
SCHEMBL5514530 0.81 NOS1 (0.59) NOS1PIK3CGGAKSYKSTK17B
SCHEMBL4454688 0.80 NOS1 (0.62) NOS1PIK3CGGAKPIK3CAPIK3CB
SCHEMBL4457291 0.80 NOS1 (0.60) NOS1PIK3CGGAKSTK17BPIK3CA
SCHEMBL6063528 0.79 NOS1 (0.68) NOS1PIK3CGGAKSYKSTK17B
SCHEMBL5523882 0.79 NOS1 (0.74) NOS1PIK3CGGAKSTK17BPIK3CA
SCHEMBL4454283 0.78 NOS1 (0.67) NOS1PIK3CGGAKPIK3CA
SCHEMBL4411134 0.78 NOS1 (0.55) NOS1PIK3CGGAKSYKSTK17B
SCHEMBL6062674 0.78 NOS1 (0.60) NOS1PIK3CGGAKSYKSTK17B
SCHEMBL6063923 0.78 NOS1 (0.60) NOS1PIK3CGGAKSYKSTK17B

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 10 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
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US disclosed
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 US 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
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 US disclosed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP disclosed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US 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 (4 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 141/4885PIK3CG 1880/4885GAK 2537/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 118/4885PIK3CG 1658/4885GAK 2462/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885PIK3CG 1880/4885GAK 2537/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885PIK3CG 2581/4885GAK 3628/4885

“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.