SCHEMBL5459177

SCHEMBL5459177

CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cn4nc(-c5ccco5)nc4c(N)n3)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
DNMT1 P26358 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
ADORA2A P29274 1/20 0.52

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
SCHEMBL5475128 0.93 USP2 (0.53) USP2DNMT1TDP1L3MBTL1THRB
SCHEMBL5473561 0.87 ALDH1A1 (0.56) USP2DNMT1TDP1L3MBTL1TP53
SCHEMBL3180194 0.85 ADORA2A (0.71) ADORA2A
SCHEMBL5469709 0.84 ADORA2A (0.71) ADORA2A
SCHEMBL3199843 0.81
SCHEMBL5473552 0.79
SCHEMBL5467829 0.77
SCHEMBL5466384 0.76
SCHEMBL5467800 0.76
SCHEMBL5468832 0.75 ADORA2A (0.70) ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010520-A1 Triazolopyrazines and methods of making and using the same BIOGEN IDEC MA INC. 2007-01-11 US claimed
EP-1615931-A1 TRIAZOLOPYRAZINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2006-01-18 EP claimed
WO-2004092177-A1 TRIAZOLOPYRAZINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed

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-20070010520-A1 Triazolopyrazines and methods of making and using the same ADORA2A, ADORA3, ADORA1 USP2 2735/4885DNMT1 1125/4885TDP1 377/4885

“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.