SCHEMBL23516288

SCHEMBL23516288

CN1C(=O)c2cccc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ PGR P06401 9/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BRD1 O95696 1/20 0.34
▸ TAF1 P21675 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ CHEK1 O14757 1/20 0.33

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
SCHEMBL23516287 0.96 PGR (0.37) BRD4CASP3PGRBRD1TAF1
SCHEMBL19848961 0.93 BRD4 (0.42) BRD4CASP3PGRMEN1USP2
SCHEMBL19848966 0.92 BRD4 (0.41) BRD4CASP3PGRMEN1USP2
SCHEMBL23515898 0.91 PGR (0.39) BRD4CASP3PGRMEN1USP2
SCHEMBL23515905 0.89 CHEK1 (0.39) BRD4CASP3PGRMEN1USP2
SCHEMBL23515897 0.89 PGR (0.39) BRD4CASP3PGRCHEK1
SCHEMBL23516312 0.88 BRD4 (0.38) BRD4CASP3PGRCHEK1
SCHEMBL19848947 0.87 CASP3 (0.47) BRD4CASP3PGRMEN1USP2
SCHEMBL23516118 0.85 CASP3 (0.39) BRD4CASP3BRD1TAF1BRPF1
SCHEMBL23515910 0.84 BRD4 (0.42) BRD4CASP3PGRTGFBR1CHEK1

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-11276825-B2 Organic molecules for use in organic devices CYNORA GMBH (DE) 2022-03-15 — — US disclosed
US-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-17 — — US 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 (2 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-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES CHRM1, C1S, DNMT3L BRD4 1051/4885CASP3 2113/4885PGR 1964/4885
US-11276825-B2 Organic molecules for use in organic devices AOX1, OR10J3, L1CAM BRD4 3545/4885CASP3 2340/4885PGR 1651/4885

“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.

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