SCHEMBL1754980

SCHEMBL1754980

Nc1nc(NCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.83
ADORA3 P0DMS8 7/20 0.83
ADORA1 P30542 6/20 0.83
ADORA2B P29275 3/20 0.83
ALDH1A1 P00352 1/20 0.83
CYP1A2 P05177 1/20 0.83
CYP3A4 P08684 1/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C9 P11712 1/20 0.83
MAPK1 P28482 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
TMEM97 Q5BJF2 1/20 0.83
HSD17B10 Q99714 1/20 0.83
HDAC1 Q13547 8/20 0.76
HDAC6 Q9UBN7 7/20 0.76
CSNK1D P48730 1/20 0.66

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
SCHEMBL29853688 0.91 ADORA2A (0.85) ADORA2AADORA3ADORA1ADORA2BALDH1A1
Zm-241385 SCHEMBL194966 0.91 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL7834626 0.90 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9325947 0.86 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9326085 0.85 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9583202 0.85 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9583900 0.85 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2BALDH1A1
[3H]-Zm-241385 SCHEMBL29443965 0.84 ADORA2A (0.87) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9329035 0.84 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL29853732 0.84 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2BALDH1A1

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-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
US-5246932-A Adenosine antagonist such as vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-21 US disclosed
EP-0515108-A2 Azolo (1,3,5) triazines as adenosine antagonists ZENECA LIMITED (GB) 1992-11-25 EP 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 1/4885ADORA3 2/4885ADORA1 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.