SCHEMBL3461642

SCHEMBL3461642

CC(C)(C)OC(=O)N1CCCC(CC(=O)c2nc(Br)cnc2N)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
CTSD P07339 1/20 0.48
GLS O94925 2/20 0.47
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
CYP2C9 P11712 1/20 0.42
CHEK2 O96017 1/20 0.42
HTR6 P50406 4/20 0.41
BCHE P06276 3/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
IRAK1 P51617 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM1A O60341 1/20 0.40
SCN9A Q15858 1/20 0.40
ACKR3 P25106 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
SCHEMBL482351 0.82 IRAK1 (0.53) BACE1CTSDGLSALOX5APFEN1
SCHEMBL17075714 0.82 IRAK1 (0.53) BACE1CTSDGLSALOX5APFEN1
SCHEMBL13401190 0.80 USP30 (0.52) FPR3FPR2
SCHEMBL3825296 0.80 USP30 (0.52) FPR3FPR2
SCHEMBL3822820 0.78 USP30 (0.49) FPR3FPR2
SCHEMBL30841573 0.76 BTK (0.49) FPR3FPR2
SCHEMBL17075684 0.75 BACE1 (0.43) BACE1CTSDGLSALOX5APFEN1
SCHEMBL17075600 0.75 BACE1 (0.43) BACE1CTSDGLSALOX5APFEN1
SCHEMBL23581864 0.73 GLS (0.53) BACE1CTSDGLSALOX5APFEN1
SCHEMBL3223222 0.73 GLS (0.53) BACE1CTSDGLSALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 BACE1 4378/4885CTSD 4208/4885GLS 1369/4885

“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.