SCHEMBL17406201

SCHEMBL17406201

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7sc6c6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
IL1R1 P14778 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL17405860 1.00 MAPT (0.34) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL16275632 0.96 MAPT (0.34) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL17405401 0.96 MAPT (0.34) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL16275926 0.96 MAPT (0.34) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL17405833 0.94 MAPT (0.35) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL16275855 0.94 MAPT (0.35) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL17405689 0.93 MAPT (0.34) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL17405748 0.93 MAPT (0.34) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL17405489 0.93 MAPT (0.34) MAPTRXFP1KDM4EATML3MBTL1
SCHEMBL17406199 0.93 MAPT (0.35) MAPTRXFP1KDM4EATML3MBTL1

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-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
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 MAPT 2869/4885RXFP1 4860/4885KDM4E 1073/4885

“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.