SCHEMBL22563522

SCHEMBL22563522

Cc1cc(C)nc(-c2c(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc(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 12)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
CHEK1 O14757 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR1 P34998 1/20 0.31
GRM2 Q14416 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SCARB1 Q8WTV0 1/20 0.31

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
SCHEMBL22563559 0.95 PTGER4 (0.35) STSABCG2KMT2AFFAR4
SCHEMBL19943046 0.92 STS (0.34) STSCHEK1CYP11B1CYP11B2PRMT5
SCHEMBL22268552 0.91 STS (0.36) STSABCG2CHEK1CYP11B1CYP11B2
SCHEMBL19909393 0.90 STS (0.35) STSCHEK1CYP11B1CYP11B2PRMT5
SCHEMBL23487284 0.89 GABRA1 (0.41) ABCG2KMT2A
SCHEMBL22563379 0.89 STS (0.36) STSABCG2CHEK1CYP11B1CYP11B2
SCHEMBL22563564 0.88 CHEK1 (0.41) ABCG2CHEK1KMT2ACRHR1
SCHEMBL22563536 0.87 STS (0.34) STSABCG2CHEK1CYP11B1CYP11B2
SCHEMBL19943042 0.87 PTGER4 (0.37) STSCHEK1CYP11B1CYP11B2PRMT5
SCHEMBL22268551 0.87 STS (0.35) STSABCG2KMT2AFFAR4

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 2612/4885CHEK1 2408/4885

“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.