SCHEMBL2040945

SCHEMBL2040945

Cc1cc(O)ccc1-n1[nH]c(=O)n(-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CDK9 P50750 1/20 0.40
PRKX P51817 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
ACVR1 Q04771 1/20 0.40
TYRO3 Q06418 1/20 0.40
PRKAA1 Q13131 1/20 0.40
DYRK1A Q13627 1/20 0.40
IKBKE Q14164 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL2039759 0.80 AURKA (0.42) AURKADAPK3PDGFRALTKGRK5
SCHEMBL2043266 0.79 AURKA (0.46) AURKADAPK3PDGFRALTKGRK5
SCHEMBL2040235 0.78 LMNA (0.41) AURKADAPK3PDGFRALTKGRK5
SCHEMBL2041567 0.78 GAA (0.44) ESR1ESR2GAAALDH1A1NPSR1
SCHEMBL2042298 0.77 NTRK1 (0.45) ESR1ESR2AURKADAPK3PDGFRA
SCHEMBL2045853 0.75 GAA (0.41) GAAALDH1A1HSP90AA1NTRK1IGF1R
SCHEMBL264757 0.74 GSK3A (0.54) AURKADAPK3PDGFRALTKGRK5
SCHEMBL2035877 0.73 GAA (0.46) GAANPC1TP53NPSR1HTT
SCHEMBL15730305 0.73 POLB (0.40) GAAALDH1A1TP53HPGDLMNA
SCHEMBL13719690 0.73 NTRK1 (0.51) ALDH1A1NPSR1NTRK1IGF1RFGFR1

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 ESR1 609/4885ESR2 1766/4885AURKA 2881/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH ESR1 609/4885ESR2 1766/4885AURKA 2881/4885

“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.