SCHEMBL21758554

SCHEMBL21758554

N#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cnccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.38
CDK5 Q00535 3/20 0.37
DYRK1A Q13627 3/20 0.37
CDK5R1 Q15078 3/20 0.37
CLK1 P49759 2/20 0.37
CLK2 P49760 2/20 0.37
CLK3 P49761 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
SLC22A12 Q96S37 12/20 0.35
AR P10275 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL21758551 1.00 NCOA3 (0.38) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21396948 0.96 NCOA3 (0.40) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21758559 0.94 SLC22A12 (0.37) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21758575 0.93 SLC22A12 (0.35) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21758621 0.92 NR3C1 (0.41) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21758256 0.92 ALDH1A1 (0.37) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21758395 0.91 KDM4E (0.38) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21758622 0.90 SLC22A12 (0.37) NCOA3CDK5DYRK1ACDK5R1CLK1
SCHEMBL21758608 0.90 AR (0.39) NCOA3CDK5CDK5R1SLC22A12AR
SCHEMBL21758589 0.89 CYP11B1 (0.33) NCOA3CDK5DYRK1ACDK5R1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 NCOA3 1482/4885CDK5 2429/4885DYRK1A 1697/4885

“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.