SCHEMBL255707

SCHEMBL255707

Cn1cc(-n2ccc(=O)c(C(=O)OC(C)(C)C)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
KDM5A P29375 1/20 0.34
UBE2N P61088 2/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL13449429 0.92 GAA (0.45) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL2263107 0.85 GAA (0.45) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL163545 0.83 CYP2C9 (0.63) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL369816 0.80 GSK3B (0.43) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL13274578 0.80 GAA (0.44) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL2266476 0.79 GAA (0.49) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL2221646 0.79 CYP2C9 (0.47) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL2221328 0.77 GAA (0.44) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL369612 0.75 GAA (0.53) GAAKMT2AALDH1A1POLBKDM4E
SCHEMBL13449431 0.74 CYP2C9 (0.58) GAAKMT2AALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (3 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 GAA 1463/4885KMT2A 720/4885ALDH1A1 1673/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET GAA 1452/4885KMT2A 730/4885ALDH1A1 762/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 GAA 1930/4885KMT2A 651/4885ALDH1A1 1464/4885

“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.