SCHEMBL5469828

SCHEMBL5469828

CC(=O)N1CCN(c2nc(N)nc3ncc(-c4ccc(Cl)cc4)nc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.56
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ADK P55263 2/20 0.44
PI4KB Q9UBF8 2/20 0.43
GRIA1 P42261 2/20 0.43
PIK3CG P48736 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5464424 0.91 NOS1 (0.57) NOS1PI4KBPIK3CGHRH4
SCHEMBL5461693 0.90 NOS1 (0.56) NOS1GRIA1PIK3CGHRH4
SCHEMBL5467586 0.89 NOS1 (0.70) NOS1PI4KBPIK3CGALDH1A1
SCHEMBL5470320 0.87 NOS1 (0.53) NOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5507995 0.86 NOS1 (0.61) NOS1ADKPIK3CGHRH4
Water SCHEMBL6483779 0.85 NOS1 (0.60) NOS1ADKPIK3CGHRH4
Water SCHEMBL6483784 0.85 NOS1 (0.60) NOS1ADKPIK3CGHRH4
SCHEMBL5521369 0.83 NOS1 (0.78) NOS1ADKPIK3CGHPGDHRH4
SCHEMBL5469937 0.83 NOS1 (0.75) NOS1PDE4APDE4BPDE4CPDE4D
Water SCHEMBL6499540 0.82 NOS1 (0.76) NOS1ADKPIK3CGHPGDHRH4

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 2 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
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.