SCHEMBL2042298

SCHEMBL2042298

Cc1cc(-n2[nH]c(=O)n(-c3ccccc3)c2=O)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.45
IGF1R P08069 3/20 0.45
FGFR1 P11362 3/20 0.45
NTRK2 Q16620 3/20 0.45
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
PDGFRA P16234 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK8 P49336 1/20 0.44
CDK9 P50750 1/20 0.44
PRKX P51817 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
CDK5 Q00535 1/20 0.44
ACVR1 Q04771 1/20 0.44
TYRO3 Q06418 1/20 0.44
PRKAA1 Q13131 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL2043266 0.86 AURKA (0.46) NTRK1IGF1RFGFR1NTRK2AURKA
SCHEMBL2045853 0.84 GAA (0.41) NTRK1IGF1RFGFR1NTRK2ALDH1A1
SCHEMBL2045688 0.83 TP53 (0.40) NTRK1IGF1RFGFR1NTRK2TP53
SCHEMBL2039759 0.81 AURKA (0.42) NTRK1IGF1RFGFR1NTRK2AURKA
SCHEMBL2040235 0.80 LMNA (0.41) AURKADAPK3PDGFRALTKGRK5
SCHEMBL2041567 0.79 GAA (0.44) NTRK1IGF1RFGFR1NTRK2ALDH1A1
SCHEMBL264757 0.78 GSK3A (0.54) NTRK1IGF1RFGFR1NTRK2AURKA
SCHEMBL2040945 0.77 ESR1 (0.40) NTRK1IGF1RFGFR1NTRK2AURKA
SCHEMBL23895082 0.75 GSK3A (0.50) NTRK1IGF1RFGFR1NTRK2AURKA
SCHEMBL2035877 0.74 GAA (0.46) TP53NPC1NPSR1GAATHRB

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 NTRK1 130/4885IGF1R 1282/4885FGFR1 347/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH NTRK1 130/4885IGF1R 1282/4885FGFR1 347/4885

“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.