SCHEMBL22563571

SCHEMBL22563571

N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.42
ALDH1A3 P47895 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
ABCG2 Q9UNQ0 4/20 0.41
ABCB1 P08183 3/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NTSR1 P30989 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL22563562 0.99 MYC (0.44) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22563572 0.96 ABCG2 (0.40) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22563555 0.95 ABCG2 (0.41) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22563518 0.95 ALDH1A3 (0.40) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL21278796 0.93 ABCG2 (0.46) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL23487339 0.93 ABCG2 (0.44) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL21279105 0.93 ABCG2 (0.42) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22563584 0.92 ABCG2 (0.38) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22563431 0.91 ABCG2 (0.44) MYCALDH1A3GABRA1GABRG2GABRB3
SCHEMBL21108012 0.91 ABCG2 (0.41) MYCALDH1A3GABRA1GABRG2GABRB3

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 MYC 329/4885ALDH1A3 91/4885GABRA1 1458/4885

“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.