SCHEMBL5116405

SCHEMBL5116405

COc1cc2c(cc1OCC(F)F)C1CCCCC1N=C2c1cnc(N(C)C)nc1OC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
TLR9 Q9NR96 4/20 0.32
TLR7 Q9NYK1 4/20 0.32
TP53 P04637 3/20 0.30
MDM2 Q00987 3/20 0.30
SPIN1 Q9Y657 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
SCHEMBL5114792 1.00 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CTLR9
SCHEMBL5128905 0.89 PDE4D (0.34) PDE4DPDE4APDE4BPDE4C
SCHEMBL5117567 0.89 PDE4D (0.34) PDE4DPDE4APDE4BPDE4C
SCHEMBL5112965 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CTLR9
SCHEMBL5118222 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CTLR9
SCHEMBL5116011 0.83 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL5124265 0.83 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL5121331 0.82 PDE4A (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL5120204 0.82 PDE4A (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL5118250 0.82 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C

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-20080167316-A1 6-Heteroaryl-1,2,3,4,4A, 10B-Hexahydrophenanthridines as Pde4-Inhibitors for the Treatment of Inflammatory Disorders ALTANA PHARMA AG (DE) 2008-07-10 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-20080167316-A1 6-Heteroaryl-1,2,3,4,4A, 10B-Hexahydrophenanthridines as Pde4-Inhibitors for the Treatment of Inflammatory Disorders PDE4A, PDE4B, PDE4C PDE4D 6/4885PDE4A 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.