SCHEMBL985660

SCHEMBL985660

Nc1ncnc2c1nc(Nc1cccnc1)n2CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.51
ADORA1 P30542 10/20 0.51
ADORA2B P29275 6/20 0.51
ADORA3 P0DMS8 5/20 0.48
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CHKA P35790 1/20 0.43
FBP1 P09467 2/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
SLC28A2 O43868 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL987270 0.90 PI4KA (0.43) ADORA2AADORA1ADORA2BADORA3CCNA2
SCHEMBL985566 0.89 PI4KA (0.42) ADORA2AADORA1ADORA2BADORA3CCNA2
SCHEMBL987269 0.89 PI4KA (0.44) ADORA2AADORA1ADORA2BADORA3CCNA2
SCHEMBL27772455 0.86 PI4KA (0.43) ADORA2AADORA1ADORA2BADORA3CCNA2
SCHEMBL4407310 0.86 CCNA2 (0.41) ADORA2AADORA1ADORA2BADORA3CCNA2
SCHEMBL4024671 0.83 SLC28A2 (0.51) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL982883 0.82 HSPA5 (0.40) ADORA2AADORA1ADORA2BADORA3CCNA2
SCHEMBL985294 0.76 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL986123 0.75 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL4025801 0.72 FBP1 (0.48) ADORA2AADORA1FBP1PI4KAPI4K2B

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 14 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
CN-103142632-A Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG 2013-06-12 CN 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
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
CN-101511855-A New macrolides useful against inflammatory and allergic disseases BASILEA PHARMACEUTICA AG (CH) 2009-08-19 CN 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 789/4885ADORA2B 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.