SCHEMBL4880834

SCHEMBL4880834

COC(=O)c1cccc(-n2c(=O)n([C@H]3CC[C@@H](NC(=O)[C@@H]4CCCN4C)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 5/20 0.36
PDE4D Q08499 5/20 0.36
MELK Q14680 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
TNF P01375 10/20 0.35
LITAF Q99732 10/20 0.35
ADORA2A P29274 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
SCHEMBL4880839 1.00 ALDH1A1 (0.37) ALDH1A1PDE4BPDE4DMELKPDE4A
SCHEMBL871894 0.89 MELK (0.37) ALDH1A1PDE4BPDE4DMELKTNF
SCHEMBL871893 0.89 MELK (0.37) ALDH1A1PDE4BPDE4DMELKTNF
SCHEMBL4879121 0.89 TTK (0.39) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL4879107 0.89 TTK (0.39) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL4886115 0.89 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL4886119 0.89 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL4883220 0.88 TTK (0.40) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL4883226 0.88 TTK (0.40) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL4875799 0.88 TTK (0.40) ALDH1A1PDE4BPDE4DPDE4APDE4C

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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 US claimed
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A ALDH1A1 809/4885PDE4B 2/4885PDE4D 7/4885

“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.