SCHEMBL13802965

SCHEMBL13802965

COc1nc(N)c(C#N)c(N)c1/N=N/c1cc(SOOO)ccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ ENPP2 Q13822 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL13802967 0.95 PTPN11 (0.42) PTPN11KDM4EPOLBBRAFMEN1
SCHEMBL13802882 0.85 PTPN11 (0.41) PTPN11KDM4EALDH1A1HPGD
SCHEMBL13814057 0.84 KDM4E (0.41) KDM4EPOLBMEN1ALDH1A1HPGD
SCHEMBL13802991 0.82 PTPN11 (0.39) PTPN11KDM4EPOLBMEN1ALDH1A1
SCHEMBL13425395 0.81 PTPN11 (0.46) PTPN11MEN1KMT2AENPP2
SCHEMBL13814158 0.78 KDM4E (0.42) KDM4EPOLBMEN1ALDH1A1HPGD
SCHEMBL13802961 0.78 PTPN11 (0.46) PTPN11
SCHEMBL13425384 0.77 PTPN11 (0.42) PTPN11
SCHEMBL13802980 0.74 PTPN11 (0.47) PTPN11KDM4EMEN1KMT2AADORA1
SCHEMBL13949392 0.74 PTPN11 (0.43) PTPN11KDM4EMEN1KMT2AENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090142554-A1 Yellow Azo Dyes for Ink Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-06-04 — — 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-20090142554-A1 Yellow Azo Dyes for Ink Jet Printing NR4A3, NR4A1, NR2E3 PTPN11 780/4885KDM4E 268/4885POLB 3030/4885

“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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