SCHEMBL21701960

SCHEMBL21701960

N#Cc1ccc(-c2ccc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc3C43c4ccccc4Oc4ccccc43)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.42
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
PDK2 Q15119 2/20 0.38
ALDH1A3 P47895 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA1 P30542 5/20 0.35
ADORA2A P29274 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
ABCB1 P08183 1/20 0.35
MAOB P27338 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
MEN1 O00255 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
SCHEMBL24905530 1.00 MYC (0.42) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL21701739 0.99 MYC (0.40) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL24647583 0.95 ABCG2 (0.44) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL21701857 0.94 ABCG2 (0.42) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL21701741 0.92 ABCG2 (0.42) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL21701688 0.92 ABCG2 (0.37) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL24905526 0.92 ABCG2 (0.37) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL23257695 0.91 MYC (0.40) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL24648138 0.91 ABCG2 (0.37) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL21701684 0.90 ABCG2 (0.38) ABCG2PDK2ADORA1ADORA2AABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
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 MYC 1141/4885GABRA1 1921/4885GABRG2 2393/4885

“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.