SCHEMBL23515917

SCHEMBL23515917

N#Cc1cc(C#N)cc(-c2cccc3c2c2c(-c4cc(C#N)cc(C#N)c4)cccc2n3-c2cccc3c2C(=O)N(c2ccccc2)C3=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA1A P0DMV8 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.37
▸ CES2 O00748 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PDE6D O43924 1/20 0.37
▸ PGR P06401 2/20 0.37
▸ TYMS P04818 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TNNI3 P19429 1/20 0.36
▸ TNNT2 P45379 1/20 0.36

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
SCHEMBL23516049 0.95 PDE6D (0.45) HSPA1APABPC1PDE6DPGRTYMS
SCHEMBL23515928 0.94 HSPA1A (0.40) HSPA1APABPC1ALDH1A1CES2BCHE
SCHEMBL23516512 0.93 HSPA1A (0.42) HSPA1APABPC1ALDH1A1CES2BCHE
SCHEMBL23516507 0.90 NR1H2 (0.43) HSPA1APABPC1ALDH1A1PDE6DPGR
SCHEMBL23516092 0.90 HSPA1A (0.44) HSPA1APABPC1ALDH1A1CES2BCHE
SCHEMBL23516492 0.89 PDE6D (0.45) HSPA1APABPC1PDE6DPGRTYMS
SCHEMBL23516480 0.87 PDCD1 (0.36) HSPA1APABPC1ALDH1A1PDE6DPGR
SCHEMBL23516495 0.87 HSPA1A (0.39) HSPA1APABPC1ALDH1A1CES2BCHE
SCHEMBL23515993 0.86 PDE6D (0.46) HSPA1APABPC1ALDH1A1PDE6DPGR
SCHEMBL23516024 0.85 PGR (0.41) HSPA1APABPC1ALDH1A1CES2BCHE

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 HSPA1A 4232/4885PABPC1 4768/4885ALDH1A1 930/4885
US-11276825-B2 Organic molecules for use in organic devices AOX1, OR10J3, L1CAM HSPA1A 2535/4885PABPC1 2862/4885ALDH1A1 11/4885

“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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