SCHEMBL6014160

SCHEMBL6014160

Nc1nc2c(cnn2Cc2ccc(F)cc2)c2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.81
ADORA1 P30542 6/20 0.69
HDAC1 Q13547 1/20 0.68
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
ADORA2B P29275 1/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
SCHEMBL7345177 0.90 ADORA2A (1.00) ADORA2AADORA1HDAC1KDM4ENPC1
SCHEMBL12972222 0.82 ADORA2A (0.77) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL13853059 0.81 ADORA2A (0.76) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL4759580 0.81 ADORA2A (0.76) ADORA2AADORA1HDAC1KDM4ENPC1
SCHEMBL13904673 0.81 ADORA2A (0.76) ADORA2AADORA1KDM4ENPC1ALDH1A1
Sch-58261 SCHEMBL537287 0.80 ADORA2A (1.00) ADORA2AADORA1HDAC1KDM4ENPC1
SCHEMBL23691676 0.80 ADORA2A (0.68) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL20694157 0.80 ADORA2A (0.85) ADORA2AADORA1HDAC1KDM4ENPC1
SCHEMBL22796280 0.80 ADORA2A (0.85) ADORA2AADORA1HDAC1KDM4ENPC1
SCHEMBL23691785 0.80 ADORA2A (0.85) ADORA2AADORA1HDAC1KDM4ENPC1

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 8 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
EP-1325335-B1 METHODS FOR DIAGNOSING AND TREATING HUNTINGTON'S DISEASE UNIV DEGLI STUDI MILANO (IT) 2006-04-12 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 1/4885ADORA1 3/4885HDAC1 2465/4885

“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.