SCHEMBL1755068

SCHEMBL1755068

CCn1c(Br)nc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA1 P30542 20/20 1.00
ADORA2B P29275 15/20 1.00
ADORA3 P0DMS8 10/20 1.00
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51

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
SCHEMBL1965296 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL31060319 0.84 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL987368 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL13977903 0.81 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18526490 0.81 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL28455573 0.81 ADORA2A (0.76) ADORA2AADORA1ADORA2BADORA3
SCHEMBL23885221 0.80 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL22359367 0.80 ADORA2A (0.74) ADORA2AADORA1ADORA2BADORA3
SCHEMBL31061536 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL30052722 0.80 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3

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 3/4885ADORA2B 4/4885

“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.