SCHEMBL22037563

SCHEMBL22037563

c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5)c4)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
BACE1 P56817 2/20 0.35
KCNH2 Q12809 1/20 0.35
NOTUM Q6P988 1/20 0.35
PIK3CA P42336 1/20 0.34
MAPK13 O15264 1/20 0.34
GCGR P47871 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 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
SCHEMBL22038543 1.00 PDK2 (0.38) PDK2SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL22038150 0.99 PDK2 (0.38) PDK2SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL22037698 0.99 SMN1; SMN2 (0.37) PDK2SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL20465268 0.94 MEN1 (0.36) PDK2SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL20465270 0.94 MEN1 (0.36) PDK2SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21394092 0.94 MEN1 (0.36) PDK2SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL22038538 0.93 PDK2 (0.39) PDK2SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL22037952 0.93 SMN1; SMN2 (0.41) PDK2SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL22038031 0.93 SMN1; SMN2 (0.41) PDK2SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL21394091 0.93 MEN1 (0.37) PDK2SMN1; SMN2MAPTALDH1A1TSHR

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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2020-05-28 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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ELOVL1, ELOVL6, ELOVL5 PDK2 2857/4885SMN1; SMN2 995/4885MAPT 883/4885

“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.