SCHEMBL22563536

SCHEMBL22563536

Cc1cc(C)nc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ABCG2 Q9UNQ0 3/20 0.32
FFAR4 Q5NUL3 1/20 0.31
SCARB1 Q8WTV0 1/20 0.31
CHEK1 O14757 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA2 P47869 1/20 0.30
PTGER4 P35408 1/20 0.30
GRM5 P41594 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
SCHEMBL23487696 0.96 STS (0.34) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL22563379 0.94 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL22268552 0.94 STS (0.36) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL19943177 0.92 STS (0.34) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL22268551 0.91 STS (0.35) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL23487300 0.91 STS (0.35) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL19909096 0.90 STS (0.35) STSCYP11B1CYP11B2PRMT5WDR77
SCHEMBL22563535 0.90 CHEK1 (0.39) CYP11B2ABCG2CHEK1PTGER4
SCHEMBL23487607 0.90 SCARB1 (0.34) CYP11B1CYP11B2ABCG2SCARB1GRM5
SCHEMBL21108285 0.88 PTGER4 (0.35) 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 3725/4885CYP11B1 1451/4885CYP11B2 770/4885

“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.