SCHEMBL12637443

SCHEMBL12637443

CN(C)c1nc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc2o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.33
▸ HTR3A P46098 2/20 0.32
▸ CMKLR1 Q99788 2/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MLNR O43193 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL12637440 0.80 GSTP1 (0.39) HTR3ACMKLR1PIK3CASLC6A2SLC6A4
SCHEMBL12637422 0.75 NR4A2 (0.35) PDK2
SCHEMBL12637473 0.74 NPC1 (0.35) PDK2HTR3AMLNRNR1I2CHRM2
SCHEMBL30595509 0.72 PDK2 (0.46) PDK2HTR3AMLNRNR1I2CHRM2
SCHEMBL20277477 0.72 ALOX5 (0.39) PDK2
SCHEMBL14508163 0.72 PDK2 (0.46) PDK2
SCHEMBL13614957 0.71 PDK2 (0.40) PDK2
SCHEMBL12564874 0.71 PDK2 (0.39) PDK2
SCHEMBL24216458 0.71 MEN1 (0.35) PDK2
SCHEMBL12637439 0.71 ENPP1 (0.41) HTR3ACMKLR1DRD2

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 PDK2 2672/4885HTR3A 4426/4885CMKLR1 768/4885

“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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