SCHEMBL2679019

SCHEMBL2679019

COC(=O)CNC(=O)c1cnc(N)c2ncn(CCC[S])c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.37
ADCY5 O95622 4/20 0.35
CSNK2A1 P68400 2/20 0.33
CSNK2A2 P19784 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
STAMBP O95630 1/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 2/20 0.32
HPRT1 P00492 2/20 0.32
NR3C1 P04150 2/20 0.32

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
SCHEMBL986342 0.90 CSNK2A2 (0.40) XDHADCY5CSNK2A1CSNK2A2KDM4E
SCHEMBL4403612 0.88 XDH (0.36) XDHADCY5CSNK2A1CSNK2A2KDM4E
SCHEMBL987740 0.78 TBK1 (0.44) NR3C1
SCHEMBL984956 0.72 RAB9A (0.43) KDM4EALDH1A1
SCHEMBL987311 0.71 PRKCI (0.45)
SCHEMBL985401 0.70 PDE4B (0.46) NR3C1
SCHEMBL987308 0.69 CSNK2A2 (0.44) ADCY5CSNK2A1CSNK2A2ALDH1A1ADORA2A
SCHEMBL987310 0.69 NPC1 (0.44) CSNK2A1CSNK2A2KDM4EALDH1A1LMNA
SCHEMBL986157 0.69 ADORA2A (0.45) CSNK2A1CSNK2A2KDM4ECYP2C19ALDH1A1
SCHEMBL985773 0.68 TBK1 (0.44) NR3C1

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 8 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-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 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 (1 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 XDH 856/4885ADCY5 2387/4885CSNK2A1 1437/4885

“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.