SCHEMBL987752

SCHEMBL987752

Nc1nc(NCc2cccnc2)nc2c1ncn2CC[S]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.61
ADORA1 P30542 5/20 0.61
TMIGD3 P0DMS9 4/20 0.61
ADORA2B P29275 3/20 0.53
ADORA3 P0DMS8 1/20 0.47
MKNK2 Q9HBH9 1/20 0.45
CDK2 P24941 8/20 0.45
CDK9 P50750 4/20 0.45
CDK1 P06493 5/20 0.43
PKM P14618 1/20 0.41
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CDK4 P11802 4/20 0.40
MAPK1 P28482 4/20 0.40
CDK7 P50613 4/20 0.40
CCNB1 P14635 3/20 0.40
CCND1 P24385 3/20 0.40
CCNE1 P24864 3/20 0.40
CCNH P51946 3/20 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
SCHEMBL987753 0.90 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL986640 0.89 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL27751686 0.87 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL987008 0.86 ADORA2A (0.63) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL4404463 0.86 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL987009 0.76 ADORA2A (0.64) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL986631 0.75 ADORA2A (0.63) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL7204064 0.74 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5162419 0.73 ADORA2A (0.82) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL4025797 0.73 FBP1 (0.48) ADORA2AADORA1ALDH1A1GAA

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.