SCHEMBL22563518

SCHEMBL22563518

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.40
MYC P01106 2/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 2/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 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
SCHEMBL22563584 0.97 ABCG2 (0.38) ALDH1A3MYCABCG2ABCB1GABRA1
SCHEMBL22563571 0.95 MYC (0.42) ALDH1A3MYCABCG2ABCB1GABRA1
SCHEMBL22563562 0.94 MYC (0.44) ALDH1A3MYCABCG2ABCB1GABRA1
SCHEMBL21279170 0.93 MEN1 (0.41) ALDH1A3MYCABCG2ABCB1GABRA1
SCHEMBL23487339 0.93 ABCG2 (0.44) ALDH1A3MYCABCG2ABCB1GABRA1
SCHEMBL19942585 0.93 ABCG2 (0.40) ALDH1A3MYCABCG2ABCB1KDM4E
SCHEMBL22563572 0.92 ABCG2 (0.40) ALDH1A3MYCABCG2ABCB1GABRA1
SCHEMBL22563406 0.91 ALDH1A3 (0.45) ALDH1A3ABCG2ABCB1GABRA1GABRG2
SCHEMBL22563480 0.91 ALDH1A3 (0.38) ALDH1A3MYCABCG2ABCB1GABRA1
SCHEMBL22563555 0.91 ABCG2 (0.41) ALDH1A3MYCABCG2ABCB1GABRA1

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 ALDH1A3 91/4885MYC 329/4885ABCG2 2612/4885

“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.