SCHEMBL2268384

SCHEMBL2268384

CCOc1cc2c(cc1OC)C(c1ccc(CCN3CCCC3)nc1)=NC1CCC(O)CC21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
HRH3 Q9Y5N1 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
S1PR1 P21453 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHEK1 O14757 6/20 0.32
PDE10A Q9Y233 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL2540739 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CHRH3
SCHEMBL2266354 0.85 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL14910606 0.84 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL14910607 0.84 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL1411657 0.84 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL2270199 0.84 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL1411662 0.83 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL15456671 0.83 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL15456672 0.83 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CPDE10A
Bromide SCHEMBL1411322 0.83 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 US claimed
US-9962377-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2018-05-08 US disclosed
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2016-09-29 US disclosed
US-9387205-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2016-07-12 US disclosed
US-20150352096-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-10 US disclosed
US-9149479-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2015-10-06 US disclosed
US-20150119389-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US disclosed
US-8883818-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2014-11-11 US disclosed
EP-2589599-B1 Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2014-06-25 EP disclosed
US-20140073636-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8455653-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2013-06-04 US disclosed
EP-2589599-A1 Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors Takeda GmbH (DE) 2013-05-08 EP disclosed
US-20130045974-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2013-02-21 US disclosed
US-8324391-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-8318944-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2012-11-27 US disclosed
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 US disclosed
US-20080167301-A1 Respiratory system disorders ALTANA PHARMA AG (DE) 2008-07-10 US 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 (8 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-20150352096-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4D 5/4885PDE4A 1/4885PDE4B 2/4885
US-20140073636-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4D 5/4885PDE4A 1/4885PDE4B 2/4885
US-20130045974-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885
US-20150119389-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B PDE4D 5/4885PDE4A 1/4885PDE4B 3/4885
US-20080167301-A1 Respiratory system disorders PDE4A, PDE4B, PDE12 PDE4D 8/4885PDE4A 1/4885PDE4B 2/4885

“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.