SCHEMBL5472017

SCHEMBL5472017

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.56
GAK O14976 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
NEK2 P51955 1/20 0.37
MAP4K1 Q92918 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
FYN P06241 1/20 0.36
STK17B O94768 1/20 0.36
ALK Q9UM73 1/20 0.35
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34

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) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5469941 0.92 NOS1 (0.56) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5461357 0.91 NOS1 (0.54) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5459283 0.89 NOS1 (0.54) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5470451 0.89 NOS1 (0.59) NOS1GAKNEK2MAP4K1FYN
SCHEMBL5464257 0.88 NOS1 (0.54) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5466065 0.88 NOS1 (0.52) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5461863 0.85 NOS1 (0.55) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5466207 0.85 NOS1 (0.55) NOS1GAKSLC6A2SLC6A4SLC6A3
SCHEMBL5459267 0.85 NOS1 (0.54) NOS1GAKSLC6A2SLC6A4SLC6A3

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 107/4885GAK 2048/4885SLC6A2 2115/4885

“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.