SCHEMBL2045853

SCHEMBL2045853

O=c1[nH]n(-c2ccc(O)c(-n3[nH]c(=O)n(-c4ccccc4)c3=O)c2)c(=O)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
NTRK1 P04629 5/20 0.39
NTRK2 Q16620 5/20 0.39
IGF1R P08069 3/20 0.39
FGFR1 P11362 3/20 0.39
NTRK3 Q16288 3/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
PGR P06401 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2040235 0.86 LMNA (0.41) GAAKDM4EPOLBGSK3AGSK3B
SCHEMBL2035877 0.86 GAA (0.46) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL2042298 0.84 NTRK1 (0.45) GAAKDM4EPOLBNTRK1NTRK2
SCHEMBL2045688 0.84 TP53 (0.40) GAAKDM4ENTRK1NTRK2IGF1R
SCHEMBL15730305 0.83 POLB (0.40) GAAKDM4EPOLBKMT2APGR
SCHEMBL13719690 0.83 NTRK1 (0.51) KDM4EPOLBNTRK1NTRK2IGF1R
SCHEMBL2041567 0.80 GAA (0.44) GAAKDM4EPOLBNTRK1NTRK2
SCHEMBL16906269 0.80 ALDH1A1 (0.39) GAAKDM4EPOLBGSK3AGSK3B
SCHEMBL13719994 0.80 KMT2A (0.36) GAAKDM4ENTRK1NTRK2IGF1R
SCHEMBL2039759 0.80 AURKA (0.42) GAAKDM4EPOLBNTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
EP-2515914-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS The Scripps Research Institute (US) 2012-10-31 EP disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 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 (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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GAA 410/4885KDM4E 225/4885POLB 1933/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GAA 410/4885KDM4E 225/4885POLB 1933/4885

“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.