SCHEMBL4875790

SCHEMBL4875790

COC(=O)c1cccc(-n2c(=O)n([C@H]3CC[C@@H](NC(=O)C4CCCCC4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.40
LMNA P02545 1/20 0.40
DAPK3 O43293 1/20 0.39
MARK3 P27448 1/20 0.39
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ACKR3 P25106 1/20 0.37
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
TNF P01375 3/20 0.37
LITAF Q99732 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.36

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
SCHEMBL4875799 1.00 TTK (0.40) TTKLMNADAPK3MARK3EPHX2
SCHEMBL4879107 0.98 TTK (0.39) TTKLMNADAPK3MARK3EPHX2
SCHEMBL4879121 0.98 TTK (0.39) TTKLMNADAPK3MARK3EPHX2
SCHEMBL4886115 0.96 PDE4B (0.39) TTKLMNADAPK3MARK3EPHX2
SCHEMBL4886119 0.96 PDE4B (0.39) TTKLMNADAPK3MARK3EPHX2
SCHEMBL4883226 0.92 TTK (0.40) TTKDAPK3MARK3EPHX2ACKR3
SCHEMBL4883220 0.92 TTK (0.40) TTKDAPK3MARK3EPHX2ACKR3
SCHEMBL4870421 0.90 PDE4B (0.40) TTKLMNAEPHX2PDE4BPDE4D
SCHEMBL4870413 0.90 PDE4B (0.40) TTKLMNAEPHX2PDE4BPDE4D
SCHEMBL4880834 0.88 ALDH1A1 (0.37) PDE4BPDE4DPDE4APDE4CTNF

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 TTK 3761/4885LMNA 4229/4885DAPK3 1575/4885

“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.