SCHEMBL5469941

SCHEMBL5469941

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4Cc4ccc(Cl)cc4)c3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.56
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
GAK O14976 1/20 0.39
NEK2 P51955 1/20 0.37
ALK Q9UM73 1/20 0.37
MAP4K1 Q92918 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
STK17B O94768 1/20 0.36
CHIT1 Q13231 2/20 0.35
CHIA Q9BZP6 2/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL5472215 0.93 NOS1 (0.56) NOS1SLC6A2SLC6A4SLC6A3GAK
SCHEMBL5459283 0.92 NOS1 (0.54) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5472017 0.92 NOS1 (0.56) NOS1SLC6A2SLC6A4SLC6A3GAK
SCHEMBL5461357 0.91 NOS1 (0.54) NOS1PDE4DSLC6A2SLC6A4SLC6A3
SCHEMBL5461863 0.89 NOS1 (0.55) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5461635 0.88 NOS1 (0.58) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5466065 0.88 NOS1 (0.52) NOS1SLC6A2SLC6A4SLC6A3GAK
SCHEMBL5466207 0.85 NOS1 (0.55) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5464257 0.85 NOS1 (0.54) NOS1SLC6A2SLC6A4SLC6A3GAK
SCHEMBL5459267 0.85 NOS1 (0.54) NOS1SLC6A2SLC6A4SLC6A3GAK

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 claimed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US claimed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP claimed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO claimed
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 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
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 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 (1 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 107/4885PDE4A 1037/4885PDE4B 1696/4885

“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.