SCHEMBL12033243

SCHEMBL12033243

COc1ncc(Br)c2ccn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.35
▸ PIK3CA P42336 2/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ GPR119 Q8TDV5 4/20 0.32
▸ MAPT P10636 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRA2 P47869 1/20 0.30

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
SCHEMBL12033247 0.86 BUB1 (0.36) BUB1PIK3CAHSP90AA1HSP90AB1BCHE
SCHEMBL30923855 0.85 BUB1 (0.36) BUB1PIK3CAPIK3R1HSP90AA1HSP90AB1
SCHEMBL30923857 0.85 BUB1 (0.36) BUB1PIK3CAPIK3R1HSP90AA1HSP90AB1
SCHEMBL23291994 0.84 GABRG2 (0.39) BUB1PIK3CAPIK3R1HSP90AA1HSP90AB1
SCHEMBL26683691 0.81 BUB1 (0.34) BUB1PIK3CAPIK3R1HSP90AA1HSP90AB1
SCHEMBL30688297 0.81 BUB1 (0.34) BUB1PIK3CAPIK3R1HSP90AA1HSP90AB1
SCHEMBL31370728 0.80 CSNK2A1 (0.37) PIK3CAPIK3R1BCHEGPR119DGAT1
SCHEMBL16337908 0.78 BUB1 (0.37) BUB1PIK3CAPIK3R1BCHEMAPT
SCHEMBL16475122 0.78 RET (0.40) BUB1GPR119RET
SCHEMBL25648570 0.77 ALDH1A1 (0.36) BUB1PIK3CAPIK3R1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 — — US disclosed
US-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 — — US disclosed
US-8518927-B2 Chemically programmed vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-27 — — US disclosed
US-8518927-B2 Chemically programmed vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-27 — — US disclosed
US-20110311516-A1 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-22 — — US disclosed
US-20110311516-A1 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-22 — — 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-20110311516-A1 Chemically Programmed Vaccination CD69, CD4, ICOS BUB1 2111/4885PIK3CA 4487/4885PIK3R1 2342/4885

“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.

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