SCHEMBL21378077

SCHEMBL21378077

N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cccc(-n3c4ccccc4c4cnccc43)c2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.40
MAOA P21397 5/20 0.37
MAOB P27338 4/20 0.37
ACHE P22303 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP11B1 P15538 1/20 0.33
PDE10A Q9Y233 2/20 0.32
DHODH Q02127 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL21377944 0.94 CYP11B2 (0.36) CYP11B2MAOAMAOBACHENCOA3
SCHEMBL21378078 0.93 CYP11B2 (0.38) CYP11B2MAOAMAOBACHEKDM4E
SCHEMBL21378036 0.91 CYP11B2 (0.37) CYP11B2MAOAMAOBACHEKDM4E
SCHEMBL21377993 0.89 KDM4E (0.42) CYP11B2NCOA3KDM4EATML3MBTL1
SCHEMBL21378007 0.87 CYP11B2 (0.38) CYP11B2MAOAACHEKDM4ECYP11B1
SCHEMBL21378079 0.85 CYP11B2 (0.37) CYP11B2MAOAKDM4ECYP11B1MAPT
SCHEMBL21396872 0.85 CYP11B2 (0.37) CYP11B2MAOAKDM4ECYP11B1MAPT
SCHEMBL24624452 0.84 KDM4E (0.42) CYP11B2NCOA3KDM4EATML3MBTL1
SCHEMBL31273354 0.84 CYP11B2 (0.50) CYP11B2MAOAMAOBACHEKDM4E
SCHEMBL31272939 0.84 CYP11B2 (0.41) CYP11B2MAOAMAOBACHENCOA3

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-11608333-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-03-21 US disclosed
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885MAOA 123/4885MAOB 95/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885MAOA 123/4885MAOB 95/4885

“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.