SCHEMBL17023904

SCHEMBL17023904

c1ccc(-c2nc(-c3nc(-c4nc(-c5ccccn5)n5ccccc45)nc(-c4nc(-c5ccccn5)n5ccccc45)n3)c3ccccn23)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 5/20 0.47
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
PTGS2 P35354 1/20 0.42
GAA P10253 7/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 4/20 0.41

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
SCHEMBL20962760 0.93 GAA (0.45) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL17023894 0.88 GAA (0.50) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL17023905 0.86 BRD4 (0.43) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL25787087 0.86 KMT2A (0.56) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL17023877 0.86 GAA (0.46) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL17023884 0.85 GAA (0.43) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL17023881 0.84 GAA (0.47) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL17023897 0.84 KDM4E (0.50) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL17023872 0.84 BRD4 (0.41) KDM4ETDP1BRD4BRD2BRD3
SCHEMBL23926375 0.81 BAZ2B (0.45) KDM4ETDP1BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10847726-B2 Imidizo derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2020-11-24 US disclosed
US-10847726-B2 Imidizo derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2020-11-24 US disclosed
US-20190131538-A1 IMIDIZO DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-02 US disclosed
US-20190131538-A1 IMIDIZO DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-02 US disclosed
US-20150243896-A1 IMIDAZO DERIVATIVES ARMY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2015-08-27 US disclosed
US-20150243896-A1 IMIDAZO DERIVATIVES ARMY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2015-08-27 US disclosed
US-20150243896-A1 IMIDAZO DERIVATIVES ARMY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2015-08-27 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 (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-20190131538-A1 IMIDIZO DERIVATIVES IKZF1, IKZF3, IKZF2 KDM4E 1297/4885TDP1 3316/4885BRD4 96/4885
US-10847726-B2 Imidizo derivatives IKZF1, IKZF3, IKZF2 KDM4E 1297/4885TDP1 3316/4885BRD4 96/4885

“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.