SCHEMBL5606918

SCHEMBL5606918

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4C)c3n2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.65
GAK O14976 2/20 0.44
ALK Q9UM73 2/20 0.44
NEK2 P51955 1/20 0.42
MAP4K1 Q92918 1/20 0.41
MTOR P42345 1/20 0.41
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
STK17B O94768 1/20 0.39
MAP3K11 Q16584 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL5464773 0.87 NOS1 (0.60) NOS1GAKALKNEK2MAP4K1
SCHEMBL6064705 0.87 NOS1 (0.60) NOS1GAKNEK2MAP4K1TGFBR1
SCHEMBL5470278 0.87 NOS1 (0.60) NOS1GAKALKNEK2MAP4K1
SCHEMBL5470267 0.87 NOS1 (0.57) NOS1GAKALKNEK2MAP4K1
SCHEMBL5470451 0.86 NOS1 (0.59) NOS1GAKALKNEK2MAP4K1
SCHEMBL5464478 0.86 NOS1 (0.59) NOS1GAKALKNEK2MAP4K1
SCHEMBL5473544 0.86 NOS1 (0.59) NOS1GAKALKNEK2MAP4K1
SCHEMBL5462871 0.86 NOS1 (0.59) NOS1GAKALKNEK2MAP4K1
SCHEMBL5472204 0.86 NOS1 (0.59) NOS1GAKALKNEK2MAP4K1
SCHEMBL5469974 0.86 NOS1 (0.56) NOS1GAKALKNEK2MAP4K1

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 9 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-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

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-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885GAK 2537/4885ALK 2197/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885GAK 3628/4885ALK 4366/4885

“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.