SCHEMBL5459346

SCHEMBL5459346

COc1ccc(-c2cnc3nc(N)nc(N4CCN(C(=O)N(C)c5ccc(C)cc5)CC4)c3n2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 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 2/20 0.46
GAK O14976 1/20 0.43
PI4KB Q9UBF8 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCKAR P32238 1/20 0.41
MAP4K1 Q92918 1/20 0.40
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
STK17B O94768 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
SCHEMBL5467853 0.93 NOS1 (0.65) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5461813 0.86 NOS1 (0.69) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL4551815 0.86 NOS1 (0.77) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5464487 0.85 NOS1 (0.66) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5461549 0.85 NOS1 (0.66) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5461838 0.85 NOS1 (0.68) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5464511 0.85 PDE4A (0.66) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5469937 0.85 NOS1 (0.75) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5469777 0.84 NOS1 (0.62) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5464535 0.84 NOS1 (0.77) 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.