SCHEMBL18092833

SCHEMBL18092833

CCOc1cc2c(cc1OC)C(c1ccc(-n3ccnc3)nc1)=NC1CCC(O)C[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 1/20 0.45
PDE10A Q9Y233 1/20 0.33
RET P07949 4/20 0.33
FPR2 P25090 7/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL2266059 1.00 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL1411087 1.00 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE10A
Bromide SCHEMBL1411151 0.99 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE10A
Sulfuric Acid SCHEMBL1411685 0.96 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPDE10A
Oxalic Acid SCHEMBL1411367 0.96 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPDE10A
Fumaric Acid SCHEMBL1410901 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE10A
Fumaric Acid SCHEMBL1410897 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE10A
Cadaverine Tartrate SCHEMBL1410963 0.94 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE10A
Cadaverine Tartrate SCHEMBL1410960 0.94 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE10A
Alpha-Ketoglutaric Acid SCHEMBL1411183 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2016-09-29 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 (1 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-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B PDE4D 5/4885PDE4A 1/4885PDE4B 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.