SCHEMBL17405709

SCHEMBL17405709

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6sc5c5c6ccccc6sc5c43)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.31
PARP1 P09874 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31
AGTR1 P30556 1/20 0.30
TSHR P16473 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
SCHEMBL17405413 0.98 MEN1 (0.34) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL19985957 0.94 MEN1 (0.33) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL16275683 0.94 MAPT (0.33) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL16206304 0.93 MEN1 (0.34) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL19986186 0.92 MAPT (0.32) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL17405847 0.92 PARP1 (0.34) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL17405819 0.91 L3MBTL1 (0.33) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL17405167 0.91 MEN1 (0.37) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL17406044 0.91 L3MBTL1 (0.33) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL18086375 0.91 L3MBTL1 (0.33) MEN1KMT2AMAPTL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 MEN1 1833/4885KMT2A 1292/4885MAPT 2869/4885

“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.