SCHEMBL5456792

SCHEMBL5456792

COc1ccc(-c2cnc3nc(NCc4ccccc4)nc(N)c3n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.60
MAPT P10636 2/20 0.56
AGTR1 P30556 1/20 0.47
CSNK1D P48730 1/20 0.47
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 2/20 0.45
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
ADORA1 P30542 3/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL5461580 0.91 NOS1 (0.57) NOS1MAPTAGTR1TP53SMN1; SMN2
SCHEMBL6063982 0.85 NOS1 (0.69) NOS1MAPTCSNK1DPDGFRBPDGFRA
SCHEMBL5464003 0.84 FYN (0.49) NOS1MAPTSMN1; SMN2ADORA2AADORA2B
SCHEMBL5461575 0.82 NOS1 (0.51) NOS1MAPTAGTR1TP53
SCHEMBL3765505 0.81 TP53 (0.50) NOS1MAPTTP53SMN1; SMN2ADORA2A
SCHEMBL5614263 0.79 NOS1 (0.57) NOS1AGTR1ADORA1
SCHEMBL6064072 0.77 NOS1 (0.65) NOS1MAPTSMN1; SMN2
SCHEMBL4451753 0.75 NOS1 (0.53) NOS1MAPTAGTR1
SCHEMBL5508808 0.75 NOS1 (1.00) NOS1AGTR1ADORA1
Water SCHEMBL6483834 0.74 NOS1 (0.98) NOS1AGTR1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP 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
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO 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

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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF NOS1 107/4885MAPT 919/4885AGTR1 3249/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885MAPT 2410/4885AGTR1 2385/4885

“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.