SCHEMBL12637442

SCHEMBL12637442

CN(C)c1nc2c(-c3cccc(-c4ccccc4)c3)cccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR3A P46098 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ENPP3 O14638 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PSMB8 P28062 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ CMKLR1 Q99788 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HIPK1 Q86Z02 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
SCHEMBL12637437 0.91 TOP2A (0.40) TOP2AL3MBTL1GAAHTR3APGR
SCHEMBL12637440 0.84 GSTP1 (0.39) HTR3APIK3CACMKLR1CLK2HIPK1
SCHEMBL12637443 0.78 PDK2 (0.33) HTR3APIK3CACMKLR1
SCHEMBL12637460 0.78 HTR3A (0.32) HTR3APIK3CACMKLR1
SCHEMBL12637439 0.75 ENPP1 (0.41) HTR3ACMKLR1TDP1ALDH1A1RAB9A
SCHEMBL12637448 0.73 CYP1A2 (0.44) HTR3APSMB8TDP1CLK4ALDH1A1
SCHEMBL27049200 0.72 TOP2A (0.47) TOP2AL3MBTL1GAAMAPTALDH1A1
SCHEMBL29202868 0.72 SMN1; SMN2 (0.50) TOP2AMAPTALDH1A1RAB9ANPC1
SCHEMBL26535797 0.72 GAA (0.48) TOP2AL3MBTL1GAAENPP3PRKDC
SCHEMBL12637441 0.72 CMKLR1 (0.38) HTR3ACMKLR1

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-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 TOP2A 4357/4885L3MBTL1 1665/4885GAA 3935/4885

“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.

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