SCHEMBL986342

SCHEMBL986342

COC(=O)CNC(=O)c1cnc(N)c2ncn(CCCCl)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 2/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
XDH P47989 2/20 0.37
ADCY5 O95622 4/20 0.35
ADORA2B P29275 1/20 0.34
NR3C1 P04150 4/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAMBP O95630 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL2679019 0.90 XDH (0.37) CSNK2A2CSNK2A1XDHADCY5NR3C1
SCHEMBL4403612 0.89 XDH (0.36) CSNK2A2CSNK2A1XDHADCY5NR3C1
SCHEMBL987308 0.80 CSNK2A2 (0.44) CSNK2A2CSNK2A1CSNK2BCSNK2A3ADCY5
SCHEMBL987310 0.79 NPC1 (0.44) CSNK2A2CSNK2A1CSNK2BCSNK2A3KDM4E
SCHEMBL985773 0.77 TBK1 (0.44) NR3C1
SCHEMBL987083 0.74 ADORA2B (0.37) CSNK2A2CSNK2A1CSNK2BCSNK2A3ADCY5
SCHEMBL986392 0.73 NPC1 (0.43) KDM4E
SCHEMBL986157 0.70 ADORA2A (0.45) CSNK2A2CSNK2A1CSNK2BCSNK2A3KDM4E
SCHEMBL4409896 0.68 TBK1 (0.44) NR3C1
SCHEMBL987740 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-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

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 CSNK2A2 1247/4885CSNK2A1 1437/4885CSNK2B 1356/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 CSNK2A2 2448/4885CSNK2A1 2701/4885CSNK2B 3539/4885

“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.