SCHEMBL2264546

SCHEMBL2264546

COc1cc2c(cc1OC(F)F)C(c1ccc(N3CCOCC3)nc1)=NC1CCC(O)CC21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.45
ERN1 O75460 1/20 0.41
MAP4K1 Q92918 1/20 0.40
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CNR2 P34972 4/20 0.36
ZAP70 P43403 1/20 0.36
MAP3K12 Q12852 3/20 0.36
SIK1 P57059 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
SIK3 Q9Y2K2 1/20 0.36
TDO2 P48775 1/20 0.35

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
SCHEMBL2268015 0.94 PDE10A (0.49) PDE10AERN1MAP4K1PDE4DPDE4A
SCHEMBL2267163 0.91 PDE10A (0.44) PDE10AERN1MAP4K1PDE4DPDE4A
SCHEMBL2263482 0.90 PDE4A (0.47) PDE10AERN1MAP4K1PDE4DPDE4A
SCHEMBL2341504 0.89 PDE10A (0.43) PDE10AERN1MAP4K1PDE4DPDE4A
SCHEMBL5067993 0.82 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL2266354 0.82 PDE4D (0.48) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL2347234 0.81 PDE4D (0.42) PDE10AERN1MAP4K1PDE4DPDE4A
SCHEMBL5507754 0.80 PDE4D (0.51) MAP4K1PDE4DPDE4APDE4BPDE4C
SCHEMBL2271400 0.79 PDE4D (0.36) PDE10APDE4DPDE4APDE4BPDE4C
SCHEMBL5473388 0.79 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CTLR8

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 21 patents — showing the first 20. 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-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
EP-1723135-B1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2013-06-19 EP 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
EP-1723135-A1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-22 EP disclosed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 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 (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 PDE10A 15/4885ERN1 3718/4885MAP4K1 406/4885
US-20140073636-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 PDE10A 15/4885ERN1 3718/4885MAP4K1 406/4885
US-20130045974-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE10A 12/4885ERN1 4076/4885MAP4K1 322/4885
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE10A 14/4885ERN1 4144/4885MAP4K1 344/4885
US-20150119389-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE10A 12/4885ERN1 4076/4885MAP4K1 322/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE10A 14/4885ERN1 4144/4885MAP4K1 344/4885
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B PDE10A 11/4885ERN1 3845/4885MAP4K1 550/4885
US-20080167301-A1 Respiratory system disorders PDE4A, PDE4B, PDE12 PDE10A 12/4885ERN1 3289/4885MAP4K1 867/4885

“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.