SCHEMBL5470577

SCHEMBL5470577

COc1ccc(-c2cnc3nc(N)nc(N4CCN(C(=O)OCc5ccccc5)CC4)c3n2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.64
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
NEK2 P51955 1/20 0.47
PI4KB Q9UBF8 1/20 0.46
GAK O14976 2/20 0.43
PRKCZ Q05513 1/20 0.42
SLC29A1 Q99808 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHFR P00374 1/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5475844 0.89 NOS1 (0.62) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5466003 0.88 NOS1 (0.67) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5471634 0.87 NOS1 (0.64) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5461501 0.87 NOS1 (0.66) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5470254 0.87 NOS1 (0.63) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL4068983 0.86 GAK (0.47) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5461373 0.86 NOS1 (0.69) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5459318 0.86 NOS1 (0.62) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL4551815 0.86 NOS1 (0.77) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5475989 0.85 NOS1 (0.65) NOS1PDE4APDE4BPDE4CPDE4D

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 4 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-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

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.