SCHEMBL3267585

SCHEMBL3267585

Cc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.66
ADORA1 P30542 11/20 0.62
PDE8A O60658 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
SCHEMBL5462775 0.91 ADORA2A (0.79) ADORA2AADORA1PDE8A
SCHEMBL1653877 0.90 ADORA2A (0.77) ADORA2AADORA1
SCHEMBL14429605 0.89 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL5466023 0.89 ADORA2A (0.66) ADORA2AADORA1PDE8A
SCHEMBL5451814 0.88 ADORA2A (0.79) ADORA2AADORA1PDE8A
SCHEMBL3267851 0.88 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL5465762 0.87 ADORA2A (0.64) ADORA2AADORA1PDE8A
SCHEMBL3269409 0.86 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL5457075 0.86 ADORA2A (0.61) ADORA2AADORA1
SCHEMBL3273511 0.85 ADORA2A (0.59) 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 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 17/4885PDE8A 293/4885
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists OPRL1, CNR1, CNR2 ADORA2A 13/4885ADORA1 28/4885PDE8A 522/4885

“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.