SCHEMBL2545779

SCHEMBL2545779

COc1cc2c(cc1OCC(F)F)C1CC(OC(C)=O)CCC1N=C2c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.41
PDE4B Q07343 4/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
PDE10A Q9Y233 2/20 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
SCHEMBL2344796 0.91 PDE4A (0.47) PDE4DPDE4BPDE4APDE4CMKNK1
SCHEMBL2538730 0.91 MKNK1 (0.41) PDE4DPDE4BPDE4APDE4CMKNK1
SCHEMBL2343649 0.90 PDE4D (0.38) PDE4DPDE4BPDE4APDE4CMKNK1
SCHEMBL2264024 0.88 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CMKNK1
SCHEMBL5485680 0.87 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL2341323 0.87 PDE4A (0.39) PDE4DPDE4BPDE4APDE4CHCRTR1
SCHEMBL5477358 0.87 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL2541131 0.84 MKNK1 (0.41) PDE4DPDE4BPDE4APDE4CMKNK1
SCHEMBL2349881 0.84 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL2347234 0.83 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CPDE10A

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 2 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

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 4/4885PDE4B 2/4885PDE4A 1/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4B 2/4885PDE4A 1/4885

“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.