SCHEMBL21163201

SCHEMBL21163201

N#Cn1c2ccc(-c3nc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5C#N)nc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5C#N)n3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
PTGER4 P35408 6/20 0.34
NPY5R Q15761 3/20 0.33
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
HDAC4 P56524 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21163385 0.96 ATM (0.37) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL30118254 0.90 NPY5R (0.37) KDM4EPTGER4NPY5RALDH1A1LMNA
SCHEMBL30118271 0.87 KDM4E (0.47) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL30118224 0.86 MEN1 (0.39) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL30118218 0.85 L3MBTL1 (0.55) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL24677071 0.82 L3MBTL1 (0.51) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15248677 0.82 L3MBTL1 (0.51) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15248715 0.82 L3MBTL1 (0.51) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL12093303 0.82 L3MBTL1 (0.51) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL30118237 0.82 L3MBTL1 (0.51) KDM4EATML3MBTL1RAC2RAC3

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-11575088-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-02-07 US disclosed
US-20190198777-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-06-27 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-11575088-B2 Composition of matter for use in organic light-emitting diodes CRY2, CYBA, ALDH1A2 KDM4E 4556/4885ATM 2253/4885L3MBTL1 1186/4885
US-20190198777-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CYBA, ALDH1A2 KDM4E 4556/4885ATM 2253/4885L3MBTL1 1186/4885

“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.