SCHEMBL1755070

SCHEMBL1755070

Nc1nc(N2CCN(Cc3c(F)cc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.76
ADORA1 P30542 5/20 0.76

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
SCHEMBL5413636 0.84 ADORA2A (0.79) ADORA2AADORA1
SCHEMBL5411271 0.84 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL5418082 0.83 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL5416057 0.83 ADORA2A (0.68) ADORA2AADORA1
SCHEMBL5407836 0.83 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL5424843 0.82 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL5426610 0.82 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL5410628 0.82 ADORA2A (0.85) ADORA2AADORA1
SCHEMBL5420373 0.81 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL5417223 0.81 ADORA2A (0.72) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1949903-B1 SELECTIVE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AURICULAR FIBRILLATION PROYECTO BIOMEDICINA CIMA SL (ES) 2012-04-18 EP disclosed
US-8012973-B2 Compounds for the treatment of auricular fibrillation PROYECTO DE BIOMEDICINA CIMA S.L. (ES) 2011-09-06 US disclosed
US-8012973-B2 Compounds for the treatment of auricular fibrillation PROYECTO DE BIOMEDICINA CIMA S.L. (ES) 2011-09-06 US disclosed
US-20090312332-A1 COMPOUNDS FOR THE TREATMENT OF AURICULAR FIBRILLATION PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2009-12-17 US disclosed
US-20090312332-A1 COMPOUNDS FOR THE TREATMENT OF AURICULAR FIBRILLATION PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2009-12-17 US disclosed
EP-1949903-A2 COMPOUNDS FOR THE TREATMENT OF AURICULAR FIBRILLATION Proyecto de Biomedicina Cima, S.L. (ES) 2008-07-30 EP disclosed
WO-2007045705-A2 COMPOUNDS FOR THE TREATMENT OF AURICULAR FIBRILLATION PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2007-04-26 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 (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-20090312332-A1 COMPOUNDS FOR THE TREATMENT OF AURICULAR FIBRILLATION ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885

“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.