SCHEMBL23516253

SCHEMBL23516253

Cc1cc(C#N)ccc1-c1ccc2c3ccc(-c4ccc(C#N)cc4C)cc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.39
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ FLT3 P36888 4/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ BRD4 O60885 4/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ EGLN2 Q96KS0 2/20 0.34
▸ BRD1 O95696 1/20 0.34
▸ TAF1 P21675 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ ALK Q9UM73 1/20 0.34

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
SCHEMBL19848968 0.96 CASP3 (0.37) CASP3GRIN1GRIN2BFLT3TDP2
SCHEMBL23516118 0.92 CASP3 (0.39) CASP3GRIN1GRIN2BFLT3TDP2
SCHEMBL23516117 0.90 CASP3 (0.37) CASP3GRIN1GRIN2BFLT3TDP2
SCHEMBL23515926 0.88 CHEK1 (0.41) CASP3FLT3TDP2CHEK1BRD4
SCHEMBL19852647 0.88 CASP3 (0.47) CASP3FLT3TDP2BRD4CREBBP
SCHEMBL23515910 0.87 BRD4 (0.42) CASP3GRIN1GRIN2BFLT3CHEK1
SCHEMBL23516255 0.86 HSPA1A (0.38) BRD1TAF1BRPF1
SCHEMBL19848896 0.86 CASP3 (0.35) CASP3GRIN1GRIN2BFLT3TDP2
SCHEMBL23515898 0.85 PGR (0.39) CASP3FLT3CHEK1BRD4BRD1
SCHEMBL23515911 0.84 CHEK1 (0.39) CASP3FLT3CHEK1BRD4

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 CASP3 2113/4885GRIN1 3862/4885GRIN2B 2629/4885
US-11276825-B2 Organic molecules for use in organic devices AOX1, OR10J3, L1CAM CASP3 2340/4885GRIN1 1576/4885GRIN2B 826/4885

“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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