SCHEMBL20794292

SCHEMBL20794292

c1ccc(-c2ccccc2Nc2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.40
▸ FABP4 P15090 6/20 0.36
▸ FABP5 Q01469 4/20 0.36
▸ FABP3 P05413 1/20 0.36
▸ MYC P01106 1/20 0.34
▸ MAX P61244 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ MAPK13 O15264 2/20 0.33
▸ MAPK12 P53778 2/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ AURKA O14965 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
SCHEMBL30522303 1.00 PDK2 (0.40) PDK2FABP4FABP5FABP3MYC
SCHEMBL25672806 0.94 PDK2 (0.42) PDK2FABP4FABP5FABP3MYC
SCHEMBL10136256 0.86 PDK2 (0.48) PDK2ALDH1A1HDAC1MAPK14SMN1; SMN2
SCHEMBL22662299 0.86 PDK2 (0.34) PDK2HDAC1SMN1; SMN2LMNA
SCHEMBL10136255 0.85 PDK2 (0.47) PDK2ALDH1A1HDAC1MAPK14SMN1; SMN2
SCHEMBL30691815 0.84 PDK2 (0.55) PDK2ALDH1A1MAPK14SMN1; SMN2LMNA
SCHEMBL14565869 0.84 PDK2 (0.55) PDK2ALDH1A1MAPK14SMN1; SMN2LMNA
SCHEMBL10136261 0.84 PDK2 (0.47) PDK2ALDH1A1MAPK14SMN1; SMN2LMNA
SCHEMBL14340269 0.83 PDK2 (0.54) PDK2ALDH1A1MAPK14SMN1; SMN2LMNA
SCHEMBL12424029 0.83 PDK2 (0.45) PDK2ALDH1A1HDAC1SMN1; SMN2LMNA

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-10428090-B2 Condensed-cyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-01 — — US disclosed
US-20190071458-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-07 — — 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-10428090-B2 Condensed-cyclic compound and organic light-emitting device comprising the same C9, C1S, CCNL2 PDK2 2939/4885FABP4 4485/4885FABP5 4819/4885
US-20190071458-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME C9, C1S, CCNL2 PDK2 2939/4885FABP4 4485/4885FABP5 4819/4885

“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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