SCHEMBL5464003

SCHEMBL5464003

COc1ccc(-c2cnc3nc(NCc4cccs4)nc(N)c3n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.49
CLK4 Q9HAZ1 1/20 0.49
NOS1 P29475 3/20 0.47
ADORA3 P0DMS8 6/20 0.46
ADORA2A P29274 6/20 0.46
ADORA2B P29275 6/20 0.46
ADORA1 P30542 6/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.43
PTGS2 P35354 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 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
SCHEMBL6063556 0.86 NOS1 (0.55) FYNCLK4NOS1MAPTKDM4E
SCHEMBL5456792 0.84 NOS1 (0.60) CLK4NOS1ADORA3ADORA2AADORA2B
SCHEMBL5461580 0.80 NOS1 (0.57) NOS1ADORA3ADORA2AADORA2BADORA1
SCHEMBL5463996 0.76 NOS1 (0.48) FYNNOS1MAPTKDM4ESMN1; SMN2
SCHEMBL5461575 0.75 NOS1 (0.51) NOS1MAPTKDM4EHPGDALDH1A1
SCHEMBL4106911 0.74 CLK4 (0.57) FYNCLK4MAPTKDM4ELMNA
SCHEMBL4451753 0.72 NOS1 (0.53) NOS1MAPTKDM4EALDH1A1
SCHEMBL5467780 0.71 NOS1 (0.69) NOS1MAPTKDM4ELMNAHPGD
SCHEMBL5459003 0.71 GAK (0.64) NOS1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL5464563 0.70 NOS1 (0.71) NOS1MAPTKDM4ELMNAHPGD

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 FYN 2227/4885CLK4 3001/4885NOS1 107/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 FYN 3530/4885CLK4 1943/4885NOS1 47/4885

“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.