SCHEMBL12637437

SCHEMBL12637437

CN(C)c1nc2c(-c3ccc(-c4ccccc4)cc3)cccc2o1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.40
▸ CMKLR1 Q99788 9/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL12637442 0.91 TOP2A (0.38) TOP2ACMKLR1KDM1APGRHTR3A
SCHEMBL12637440 0.84 GSTP1 (0.39) CMKLR1HTR3APIK3CASMN1; SMN2KDM4E
SCHEMBL12637439 0.83 ENPP1 (0.41) CMKLR1HTR3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12637441 0.80 CMKLR1 (0.38) CMKLR1HTR3A
SCHEMBL12637460 0.78 HTR3A (0.32) CMKLR1HTR3APIK3CA
SCHEMBL8528883 0.78 TOP2A (0.56) TOP2AGAAPIK3CAPIK3CDPIK3CB
SCHEMBL13469339 0.76 GAA (0.47) TOP2AGAAL3MBTL1PIK3CAPIK3CD
SCHEMBL12591075 0.75 TDP1 (0.44) PGRGAAL3MBTL1PIK3CA
SCHEMBL12637448 0.75 CYP1A2 (0.44) HTR3AALDH1A1
SCHEMBL1618212 0.74 TOP2A (0.58) TOP2APIK3CAPIK3CDPIK3CBMEN1

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 4357/4885CMKLR1 768/4885KDM1A 1857/4885

“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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