SCHEMBL21701684

SCHEMBL21701684

N#Cc1ccc(-c2cccc3c2-c2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2C32c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.38
ABCB1 P08183 7/20 0.38
HTT P42858 1/20 0.35
ABCC1 P33527 3/20 0.34
HRH4 Q9H3N8 2/20 0.34
OPRD1 P41143 1/20 0.33
PDK2 Q15119 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL21701688 0.99 ABCG2 (0.37) ABCG2ABCB1HTTABCC1HRH4
SCHEMBL24905526 0.99 ABCG2 (0.37) ABCG2ABCB1HTTABCC1HRH4
SCHEMBL24905475 0.98 ABCG2 (0.39) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL24648138 0.96 ABCG2 (0.37) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL21701685 0.94 ABCG2 (0.39) ABCG2ABCB1HTTABCC1PDK2
SCHEMBL22908161 0.93 ABCG2 (0.38) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL21701689 0.93 MEN1 (0.34) ABCG2ABCB1HTTABCC1HRH4
SCHEMBL21151545 0.92 ABCG2 (0.37) ABCG2ABCB1HTTABCC1OPRD1
SCHEMBL21701739 0.91 MYC (0.40) ABCG2ABCB1PDK2ADORA2AADORA1
SCHEMBL24647583 0.91 ABCG2 (0.44) ABCG2ABCB1ABCC1PDK2ADORA2A

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-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 2020-02-13 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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 ABCG2 2349/4885ABCB1 1101/4885HTT 3653/4885

“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.