SCHEMBL3268539

SCHEMBL3268539

Nc1nc(-c2ccco2)c2ncn(Cc3cccc(Cl)c3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA1 P30542 13/20 1.00
ADORA3 P0DMS8 1/20 0.68
ADORA2B P29275 1/20 0.68

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
SCHEMBL3268186 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5466593 0.89 ADORA2A (0.81) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3269621 0.89 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3268454 0.89 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL3272671 0.88 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL3269171 0.88 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3274034 0.88 ADORA2A (0.81) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3268508 0.86 ADORA2A (0.85) ADORA2AADORA1
SCHEMBL3268293 0.86 ADORA2A (0.78) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3269802 0.85 ADORA2A (0.80) 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 14 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 claimed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US claimed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 US claimed
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-27 US claimed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP claimed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO claimed
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
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.