SCHEMBL17511892

SCHEMBL17511892

[c]1cc2ncccc2c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.38
HSP90AA1 P07900 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AB1 P08238 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NCOA1 Q15788 2/20 0.36
GPR3 P46089 1/20 0.36
NR4A2 P43354 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
AXL P30530 1/20 0.33

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
SCHEMBL9480170 0.78 CYP3A4 (0.47) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL2517518 0.78 MAPT (0.52) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL24464 0.72 LMNA (0.48) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL23973 0.72 LMNA (0.48) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL17511950 0.72 IKBKE (0.40) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL25629 0.72 KDM4E (0.41) MAPTKDM4ECYP3A4HSP90AA1HTT
SCHEMBL23991 0.72 MAPT (0.45) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL17511885 0.72 KDM4E (0.45) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL217044 0.71 MAPT (1.00) MAPTKDM4ECYP3A4LMNAHSP90AA1
SCHEMBL2518791 0.69 KDM4E (0.46) MAPTKDM4ECYP3A4LMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 MAPT 4371/4885KDM4E 995/4885CYP3A4 1069/4885

“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.