SCHEMBL10325495

SCHEMBL10325495

[c]1ccccc1-c1cn(-c2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HPGD P15428 1/20 0.41
DYRK1A Q13627 2/20 0.40
NR4A2 P43354 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR7 P34969 3/20 0.35
ESRRA P11474 1/20 0.35
GSK3B P49841 2/20 0.34

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
SCHEMBL12177017 0.80 KDM4E (0.64) KDM4EPOLBCTDSP1HPGDDYRK1A
SCHEMBL28024588 0.80 HTR6 (0.51) KDM4EHPGDNPSR1L3MBTL1ALDH1A1
SCHEMBL1883807 0.75 KDM4E (0.58) KDM4EPOLBCTDSP1HPGDDYRK1A
SCHEMBL10325497 0.75 KDM4E (0.51) KDM4EPOLBCTDSP1HPGDDYRK1A
SCHEMBL27747002 0.75 HTR6 (0.65) L3MBTL1HTR7
SCHEMBL13335089 0.74 KDM4E (0.57) KDM4EPOLBCTDSP1HPGDDYRK1A
SCHEMBL13335069 0.74 KDM4E (0.57) KDM4EPOLBCTDSP1HPGDDYRK1A
SCHEMBL7441180 0.74 SIRT2 (0.53) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL13335116 0.73 KDM4E (0.55) KDM4EPOLBCTDSP1HPGDDYRK1A
SCHEMBL13335074 0.71 KDM4E (0.54) KDM4EPOLBCTDSP1HPGDDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382206-B2 Nitrogen-containing aromatic heterocyclic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-07-05 US disclosed
EP-2628729-A1 AROMATIC HETEROCYCLIC DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-08-21 EP disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 US disclosed
US-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 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-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME AOC3, NPR3, NR0B1 KDM4E 3595/4885POLB 1070/4885CTDSP1 3864/4885
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR KDM4E 1308/4885POLB 1681/4885CTDSP1 3541/4885

“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.