SCHEMBL21068941

SCHEMBL21068941

c1cnc(-n2c3ccc(-c4nc(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5ncccn5)nc(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5ncccn5)n4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY5R Q15761 6/20 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
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPP1CA P62136 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC4 P56524 1/20 0.31
TUBB4A P04350 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
SCHEMBL30118242 0.96 ATM (0.38) KDM4EATML3MBTL1NPY5RRAC2
SCHEMBL21069060 0.96 ATM (0.38) KDM4EATML3MBTL1NPY5RRAC2
SCHEMBL21163416 0.93 NPY5R (0.41) KDM4EATML3MBTL1NPY5RPTGER4
SCHEMBL30118238 0.93 NPY5R (0.41) KDM4EATML3MBTL1NPY5RPTGER4
SCHEMBL21069126 0.89 NPY5R (0.39) KDM4EATML3MBTL1NPY5RPTGER4
SCHEMBL30118220 0.89 NPY5R (0.39) KDM4EATML3MBTL1NPY5RPTGER4
SCHEMBL10450124 0.89 KDM4E (0.47) KDM4EATML3MBTL1NPY5RRAC2
SCHEMBL17227994 0.88 L3MBTL1 (0.50) KDM4EATML3MBTL1NPY5RRAC2
SCHEMBL21965711 0.88 ATM (0.42) KDM4EATML3MBTL1NPY5RRAC2
SCHEMBL21965167 0.88 ATM (0.42) KDM4EATML3MBTL1NPY5RRAC2

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.