SCHEMBL5465611

SCHEMBL5465611

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4c4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.49
GAK O14976 2/20 0.38
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NEK2 P51955 1/20 0.35
ESRRA P11474 1/20 0.35
STK17B O94768 1/20 0.33
MAP4K1 Q92918 1/20 0.33
MET P08581 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALK Q9UM73 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5461665 0.88 NOS1 (0.49) NOS1GAKMAPTMEN1ALDH1A1
SCHEMBL5459261 0.86 NOS1 (0.56) NOS1GAKMAPTMEN1KMT2A
SCHEMBL5459249 0.85 NOS1 (0.53) NOS1GAKMAPTMEN1KMT2A
SCHEMBL5472204 0.81 NOS1 (0.59) NOS1GAKNEK2STK17BMAP4K1
SCHEMBL5470451 0.80 NOS1 (0.59) NOS1GAKMEN1ALDH1A1LMNA
SCHEMBL5466421 0.80 NOS1 (0.55) NOS1GAKNEK2STK17BMAP4K1
SCHEMBL5470278 0.79 NOS1 (0.60) NOS1GAKNEK2STK17BMAP4K1
SCHEMBL5464773 0.79 NOS1 (0.60) NOS1GAKNEK2STK17BMAP4K1
SCHEMBL5473544 0.78 NOS1 (0.59) NOS1GAKALDH1A1NEK2STK17B
SCHEMBL5464478 0.78 NOS1 (0.59) NOS1GAKNEK2STK17BMAP4K1

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 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 2048/4885MAPT 919/4885

“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.