SCHEMBL2344796

SCHEMBL2344796

CCOc1cc2c(cc1OC)C(c1cccnc1)=NC1CCC(OC(C)=O)CC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
PDE10A Q9Y233 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2538730 0.95 MKNK1 (0.41) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL2545779 0.91 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL1410585 0.90 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DAAK1
SCHEMBL2346855 0.90 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL2346512 0.90 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DAAK1
SCHEMBL2341011 0.89 MAPT (0.40) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL2343649 0.89 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL2541131 0.88 MKNK1 (0.41) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL2271405 0.87 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL1411271 0.87 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.