SCHEMBL4017828

SCHEMBL4017828

COc1ccc(C2(C#N)CCc3nc(C)[nH]c(=O)c3C2)c2c1oc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAOA P21397 4/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4B Q07343 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HPGD P15428 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL4525068 0.91 TNKS (0.35) TNKSTNKS2MAOAKDM4ENPC1
SCHEMBL4016694 0.86 KDM4E (0.36) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL12316294 0.84 TNKS (0.35) TNKSTNKS2MAOAKDM4ENPC1
SCHEMBL4011948 0.81 PDE4B (0.34) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4016542 0.81 CYP19A1 (0.37) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4537205 0.81 NPC1 (0.36) KDM4ENPC1ALDH1A1PDE4BCYP17A1
SCHEMBL14865170 0.81 LMNA (0.33) KDM4EALDH1A1LMNAPDE4BCYP17A1
SCHEMBL4524475 0.80 PDE4B (0.34) KDM4EALDH1A1LMNAPDE4BCYP17A1
SCHEMBL4016579 0.79 MAOA (0.33) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL4012783 0.79 MAOA (0.43) MAOAKDM4ENPC1ALDH1A1LMNA

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-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP claimed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US claimed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US claimed
EP-2074106-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 Matrix Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008032171-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MATRIX LABORATORIES LTD. (DE) 2008-03-20 WO claimed
EP-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP disclosed
EP-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP disclosed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US disclosed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US disclosed
WO-2008032171-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MATRIX LABORATORIES LTD. (DE) 2008-03-20 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 TNKS 1108/4885TNKS2 1782/4885MAOA 148/4885

“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.