SCHEMBL5012750

SCHEMBL5012750

Nc1nc(N2CCN3CC(COc4ccccc4F)CCC3C2)cc2nc(-c3ccco3)nn12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.64
ADORA1 P30542 1/20 0.64

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
SCHEMBL5013381 0.94 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL5011668 0.89 ADORA2A (0.68) ADORA2AADORA1
SCHEMBL5012691 0.88 ADORA2A (0.78) ADORA2AADORA1
SCHEMBL3548892 0.87 ADORA2A (0.76) ADORA2A
SCHEMBL5013337 0.87 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL5011914 0.85 ADORA2A (0.76) ADORA2AADORA1
SCHEMBL3550994 0.84 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL5013406 0.83 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL5550203 0.83 ADORA2A (0.59) ADORA2A
SCHEMBL5015039 0.83 ADORA2A (0.61) ADORA2AADORA1

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-1633756-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-12-24 EP claimed
US-20070173505-A1 A2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-07-26 US 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-20070173505-A1 A2a adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885

“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.