SCHEMBL3270170

SCHEMBL3270170

Nc1nc(-c2ccco2)c2ncn(CCC3CCCCC3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.66
ADORA1 P30542 9/20 0.62
ADORA3 P0DMS8 1/20 0.60
ADORA2B P29275 1/20 0.60

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
SCHEMBL3268798 0.95 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3269831 0.90 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3277955 0.84 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL3269827 0.83 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL3268861 0.83 ADORA2A (0.68) ADORA2AADORA1
SCHEMBL3275249 0.80 ADORA2A (0.74) ADORA2AADORA1
SCHEMBL3272076 0.80 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL3268950 0.79 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL3272682 0.79 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3273194 0.79 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349857-B1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2010-06-16 EP disclosed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US disclosed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US disclosed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US disclosed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 US disclosed
CN-1617871-A Purine derivatives as purinergic receptor antagonists VERNALIS RES LTD (GB) 2005-05-18 CN disclosed
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-27 US disclosed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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 (2 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-20060270691-A1 Purine derivatives as purinergic receptor antagonists CHRNA10, CHRNA5, CHRNA4 ADORA2A 14/4885ADORA1 17/4885ADORA3 20/4885
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists OPRL1, CNR1, CNR2 ADORA2A 13/4885ADORA1 28/4885ADORA3 25/4885

“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.