SCHEMBL21342864

SCHEMBL21342864

N#Cc1ccc(-c2ccc(-c3cccc4c3-c3ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc3C43c4ccccc4Sc4ccccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.39
PDK2 Q15119 2/20 0.38
MYC P01106 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCB1 P08183 3/20 0.34
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL23257142 0.99 ABCG2 (0.39) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23257756 0.97 ABCG2 (0.40) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23256725 0.97 ABCG2 (0.40) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23257760 0.97 ABCG2 (0.40) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23257759 0.96 ABCG2 (0.41) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23256844 0.95 PDK2 (0.39) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL21343158 0.94 ABCG2 (0.38) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23257133 0.93 ABCG2 (0.37) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23257113 0.93 ABCG2 (0.38) ABCG2PDK2MYCGABRA1GABRG2
SCHEMBL23256851 0.93 ABCG2 (0.38) ABCG2PDK2MYCGABRA1GABRG2

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-20210114998-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-04-22 US disclosed
WO-2019172699-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-12 WO 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-20210114998-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CHRM1, CRY1, NR2E3 ABCG2 4147/4885PDK2 2498/4885MYC 1788/4885

“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.