SCHEMBL987009

SCHEMBL987009

Nc1nc(NCc2ccncc2)nc2c1ncn2CCS

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.64
ADORA1 P30542 7/20 0.64
TMIGD3 P0DMS9 5/20 0.64
ADORA2B P29275 4/20 0.52
CDK1 P06493 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
CDK2 P24941 2/20 0.43
TLR9 Q9NR96 3/20 0.39
TLR7 Q9NYK1 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL987008 0.89 ADORA2A (0.63) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL986631 0.89 ADORA2A (0.63) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL27772453 0.86 ADORA2A (0.59) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL987753 0.86 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL4404469 0.86 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL1146658 0.81 ADORA2A (0.54) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL5357328 0.77 ADORA2A (0.77) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL5164692 0.77 ADORA2A (0.74) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL7204064 0.76 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL987752 0.76 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BCDK1

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 10 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
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 789/4885TMIGD3 1915/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 ADORA2A 3693/4885ADORA1 2392/4885TMIGD3 1497/4885

“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.