SCHEMBL5459261

SCHEMBL5459261

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4c4ccc(C(F)(F)F)cc4)c3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.56
GAK O14976 2/20 0.41
NEK2 P51955 1/20 0.37
MAP4K1 Q92918 1/20 0.36
MET P08581 1/20 0.36
ALK Q9UM73 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 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
SCHEMBL5470451 0.92 NOS1 (0.59) NOS1GAKNEK2MAP4K1ALK
SCHEMBL5459249 0.92 NOS1 (0.53) NOS1GAKNEK2MAP4K1MET
SCHEMBL5464773 0.91 NOS1 (0.60) NOS1GAKNEK2MAP4K1ALK
SCHEMBL5464478 0.91 NOS1 (0.59) NOS1GAKNEK2MAP4K1ALK
SCHEMBL5473544 0.91 NOS1 (0.59) NOS1GAKNEK2MAP4K1ALK
SCHEMBL5461635 0.90 NOS1 (0.58) NOS1GAKNEK2MAP4K1ALK
SCHEMBL5470267 0.88 NOS1 (0.57) NOS1GAKNEK2MAP4K1ALK
SCHEMBL5461939 0.87 NOS1 (0.56) NOS1GAKNEK2MAP4K1MET
SCHEMBL5465735 0.87 NOS1 (0.58) NOS1GAKNEK2MAP4K1ALK
SCHEMBL5465611 0.86 NOS1 (0.49) NOS1GAKNEK2MAP4K1MET

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 2048/4885NEK2 2774/4885

“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.