SCHEMBL799165

SCHEMBL799165

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)c(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.36
BACE1 P56817 3/20 0.33
SOS1 Q07889 1/20 0.33
JUN P05412 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CETP P11597 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL29601574 0.80 SSTR4 (0.35) SSTR4SOS1GAAUSP30
SCHEMBL17755394 0.80 SSTR4 (0.35) SSTR4SOS1GAAUSP30
SCHEMBL26980538 0.80 GAA (0.38) SSTR4GAAUSP30
SCHEMBL29498379 0.76 GAA (0.35) SSTR4SOS1GAAUSP30
SCHEMBL22259343 0.76 GAA (0.35) SSTR4SOS1GAAUSP30
SCHEMBL2378220 0.76 SSTR4 (0.36) SSTR4BACE1SOS1KDM4ECETP
SCHEMBL14230252 0.76 USP30 (0.35) SSTR4KDM4EUSP30
SCHEMBL29857782 0.76 SSTR4 (0.33) SSTR4BACE1SOS1JUNNFKB1
SCHEMBL20678331 0.74 SSTR4 (0.33) SSTR4BACE1USP30
SCHEMBL25051425 0.74 HPGDS (0.33) SSTR4USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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 (2 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 SSTR4 2304/4885BACE1 4412/4885SOS1 1275/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 SSTR4 2304/4885BACE1 4412/4885SOS1 1275/4885

“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.