SCHEMBL987368

SCHEMBL987368

Nc1ncnc2c1nc(Br)n2CCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 1.00
ADORA1 P30542 19/20 1.00
ADORA2B P29275 15/20 1.00
ADORA3 P0DMS8 9/20 0.83
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47

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
SCHEMBL31061536 0.91 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL28455573 0.83 ADORA2A (0.76) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL1755068 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL1965296 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL22359367 0.82 ADORA2A (0.74) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL23885221 0.82 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL30052722 0.82 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL1966711 0.80 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4742892 0.79 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL5364361 0.79 ADORA2A (1.00) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
CN-101511855-B New macrolides useful against inflammatory and allergic disseases BASILEA PHARMACEUTICA AG 2013-04-24 CN disclosed
CN-101115764-B New macrolides BASILEA PHARMACEUTICA AG 2012-09-26 CN disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
CN-101939012-A Macrolides for the treatment of diseases mediated by inhibition of PDE BASILEA PHARMACEUTICA AG 2011-01-05 CN disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 EP disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 WO disclosed
CN-101115764-A New macrolides BASILEA PHARMACEUTICA AG (CH) 2008-01-30 CN disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 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 (3 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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 ADORA2A 3969/4885ADORA1 3103/4885ADORA2B 4241/4885
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 ADORA2A 1843/4885ADORA1 789/4885ADORA2B 490/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 ADORA2A 3693/4885ADORA1 2392/4885ADORA2B 2624/4885

“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.