SCHEMBL986123

SCHEMBL986123

Nc1ncnc2c1nc(C#Cc1cccnc1)n2CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.57
ADORA1 P30542 10/20 0.57
ADORA3 P0DMS8 8/20 0.57
ADORA2B P29275 6/20 0.50
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.38
HSP90B1 P14625 1/20 0.37

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
SCHEMBL985660 0.75 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BEGFR
SCHEMBL985294 0.75 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BEGFR
SCHEMBL31061139 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPI4KA
SCHEMBL4024671 0.73 SLC28A2 (0.51) ADORA2AADORA1ADORA3ADORA2BMAPK1
SCHEMBL13587314 0.71 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BEGFR
SCHEMBL13587315 0.69 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BEGFR
SCHEMBL987368 0.68 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BHSP90AA1
SCHEMBL13587328 0.68 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BEGFR
SCHEMBL12294571 0.65 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2BPI4KA
SCHEMBL5035093 0.65 HSP90B1 (0.57) ADORA2AADORA1ADORA3ADORA2BHSP90AA1

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 11 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
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
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
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 EP disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 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 (2 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 ADORA2A 1843/4885ADORA1 789/4885ADORA3 644/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 ADORA2A 3693/4885ADORA1 2392/4885ADORA3 1261/4885

“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.