SCHEMBL5469804

SCHEMBL5469804

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.68
NEK2 P51955 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
GAK O14976 1/20 0.46
PI4KB Q9UBF8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
NTSR1 P30989 1/20 0.42
CFTR P13569 1/20 0.41

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
SCHEMBL5461373 0.94 NOS1 (0.69) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5465736 0.92 NOS1 (0.67) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5461726 0.92 NOS1 (0.67) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5478223 0.92 NOS1 (0.69) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5463616 0.90 NOS1 (0.64) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5470568 0.89 NOS1 (0.65) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL4551815 0.89 NOS1 (0.77) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5468549 0.88 NOS1 (0.65) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5469937 0.88 NOS1 (0.75) NOS1NEK2PDE4APDE4BPDE4C
SCHEMBL5459277 0.88 NOS1 (0.61) NOS1NEK2PDE4APDE4BPDE4C

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 107/4885NEK2 2774/4885PDE4A 1037/4885

“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.