SCHEMBL1411523

SCHEMBL1411523

CCOc1cc2c(cc1OC)C(c1ccc(OC)nc1OC)=N[C@@H]1CC[C@@H](OC(C)=O)C[C@H]21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
KDM4E B2RXH2 1/20 0.33
FFAR2 O15552 1/20 0.33
KMT2A Q03164 1/20 0.32
ERN1 O75460 1/20 0.32
NAMPT P43490 1/20 0.32
FPR2 P25090 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PLAU P00749 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAB1 Q9Y478 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
SCHEMBL1414991 1.00 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL2344026 0.95 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CFFAR2
SCHEMBL1411743 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL2344989 0.93 PDE4A (0.42) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411421 0.92 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL2351811 0.91 PDE4A (0.38) PDE4DPDE4APDE4BPDE4CFFAR2
SCHEMBL2344839 0.91 PDE4A (0.38) PDE4DPDE4APDE4BPDE4CFFAR2
SCHEMBL1411349 0.91 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL2339664 0.89 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CFFAR2
SCHEMBL2346708 0.89 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-20110257221-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
EP-2295423-A1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives Nycomed GmbH (DE) 2011-03-16 EP 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-20110257221-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

“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.