SCHEMBL4105477

SCHEMBL4105477

CC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2NC2CCSC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
IRAK4 Q9NWZ3 9/20 0.35
PDE4B Q07343 2/20 0.34
MAP4K4 O95819 2/20 0.34
MAPK1 P28482 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
CHEK1 O14757 1/20 0.34
IKBKB O14920 1/20 0.34
AURKA O14965 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
FGFR1 P11362 1/20 0.34
SELP P16109 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CCNA2 P20248 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
SCHEMBL4105480 1.00 HPGD (0.36) HPGDIRAK4PDE4BMAP4K4MAPK1
SCHEMBL4107432 0.85 HPGD (0.40) HPGDIRAK4PDE4BMAP4K4MAPK1
SCHEMBL4107426 0.85 HPGD (0.40) HPGDIRAK4PDE4BMAP4K4MAPK1
SCHEMBL871646 0.85 TYRO3 (0.47) IRAK4MAP4K4MAPK1CHEK1IKBKB
SCHEMBL871647 0.85 TYRO3 (0.47) IRAK4MAP4K4MAPK1CHEK1IKBKB
SCHEMBL13697674 0.83 IRAK4 (0.40) HPGDIRAK4PDE4BPDE4APDE4D
SCHEMBL870889 0.79 CRHR1 (0.36) HPGDIRAK4PDE4BPDE4APDE4D
SCHEMBL870890 0.79 CRHR1 (0.36) HPGDIRAK4PDE4BPDE4APDE4D
SCHEMBL4110540 0.79 MCHR1 (0.40) HPGDIRAK4PDE4BMAP4K4PDE4A
SCHEMBL4110544 0.79 MCHR1 (0.40) HPGDIRAK4PDE4BMAP4K4PDE4A

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-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 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-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors PDE4A, PDE4B, PDE12 HPGD 110/4885IRAK4 167/4885PDE4B 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.