SCHEMBL986731

SCHEMBL986731

Nc1nc(N)c2ncn(CCCl)c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.66
CCNE1 P24864 5/20 0.66
CDK2 P24941 5/20 0.66
CCNB1 P14635 4/20 0.66
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
ADORA2A P29274 5/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2B P29275 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
TMIGD3 P0DMS9 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL4022228 0.85 CCNE1 (0.68) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL5023964 0.83 CCNE1 (0.66) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL1377647 0.83 CDK1 (0.76) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL4022224 0.83 CCNE1 (0.66) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL24709725 0.81 CCNE1 (0.72) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL21137280 0.81 CCNE1 (0.72) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL3922885 0.81 CDK1 (0.71) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL19553605 0.80 CDK1 (0.60) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL13870047 0.80 CCNE1 (0.65) CDK1CCNE1CDK2CCNB1HSP90AA1
SCHEMBL28301970 0.80 CDK1 (0.65) CDK1CCNE1CDK2CCNB1HSP90AA1

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 12 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
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 CDK1 3289/4885CCNE1 4162/4885CDK2 3092/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 CDK1 3094/4885CCNE1 970/4885CDK2 2528/4885

“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.