SCHEMBL22908161

SCHEMBL22908161

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.38
ABCB1 P08183 9/20 0.38
HTT P42858 1/20 0.37
ABCC1 P33527 4/20 0.34
OPRD1 P41143 1/20 0.33
PDK2 Q15119 1/20 0.33
IDO1 P14902 1/20 0.33
MYC P01106 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
SCHEMBL21151545 0.99 ABCG2 (0.37) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL21151547 0.95 ABCG2 (0.37) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL21151546 0.95 ABCG2 (0.37) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL21701684 0.93 ABCG2 (0.38) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL21343706 0.93 ABCG2 (0.37) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL21343151 0.93 ABCG2 (0.34) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL24905526 0.92 ABCG2 (0.37) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL21701688 0.92 ABCG2 (0.37) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL23256520 0.92 ABCG2 (0.34) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL22908160 0.92 PDK2 (0.40) ABCG2HTTPDK2

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-20210143344-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-05-13 US disclosed
US-20210020842-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 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-20210020842-A1 ORGANIC LIGHT-EMITTING DEVICE OR10J3, OR51E2, LOXL1 ABCG2 4711/4885ABCB1 3834/4885HTT 4778/4885

“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.