SCHEMBL5068253

SCHEMBL5068253

CC(C)(C)OC(=O)N1CCCC(COc2ccc(C(F)(F)F)cc2N)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.54
ALOX5AP P20292 4/20 0.49
FEN1 P39748 4/20 0.49
CHEK2 O96017 1/20 0.47
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
MAPT P10636 1/20 0.43
PDE4B Q07343 1/20 0.41
ACKR3 P25106 1/20 0.41
LIPE Q05469 1/20 0.41
GLS O94925 1/20 0.41
HTR6 P50406 1/20 0.41
RBP4 P02753 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL5162273 1.00 SCN9A (0.54) SCN9AALOX5APFEN1CHEK2BACE1
SCHEMBL5163390 1.00 SCN9A (0.54) SCN9AALOX5APFEN1CHEK2BACE1
SCHEMBL27681575 0.87 PTGDR2 (0.43) RBP4
SCHEMBL27700745 0.87 PTGDR2 (0.43) RBP4
SCHEMBL27681576 0.87 PTGDR2 (0.43) RBP4
SCHEMBL5163789 0.85 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL5163780 0.85 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL5166008 0.85 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL4510756 0.84 CHEK2 (0.55) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL13122449 0.84 CHEK2 (0.55) SCN9AALOX5APFEN1CHEK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 US disclosed
EP-1778648-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-05-02 EP disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 EP disclosed
WO-2006021002-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-23 WO disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 WO 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-20080318974-A1 Compounds Useful for Inhibiting Chk1 CHEK1, PCNA, CHEK2 SCN9A 4533/4885ALOX5AP 4143/4885FEN1 72/4885

“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.