SCHEMBL22563387

SCHEMBL22563387

Cc1cc(C)nc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)c(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SCARB1 Q8WTV0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
STAT3 P40763 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL22563385 0.95 ABCG2 (0.35) STSABCG2ALDH1A1FFAR4KDM4E
SCHEMBL21108358 0.92 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19909202 0.92 STS (0.35) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL22563379 0.88 STS (0.36) STSABCG2CYP11B1CYP11B2PRMT5
SCHEMBL22268552 0.88 STS (0.36) STSABCG2CYP11B1CYP11B2PRMT5
SCHEMBL23487667 0.88 ABCG2 (0.39) ABCG2CYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL23487687 0.87 TRPA1 (0.40) ABCG2ALDH1A1KDM4EHPGDGABRA1
SCHEMBL19942698 0.87 PTGER4 (0.35) STSPRMT5WDR77ALDH1A1TSHR
SCHEMBL21279084 0.87 STS (0.32) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19909200 0.87 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77

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 STS 3725/4885ABCG2 2612/4885CYP11B1 1451/4885

“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.