SCHEMBL21546784

SCHEMBL21546784

N#Cc1cccc(-c2c(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)cc(C#N)cc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.38
MAP4K4 O95819 1/20 0.35
ADRA2C P18825 1/20 0.34
CHEK1 O14757 1/20 0.34
PRF1 P14222 1/20 0.34
BRD4 O60885 1/20 0.34
CLK4 Q9HAZ1 3/20 0.34
PGR P06401 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
ESRRB O95718 1/20 0.33
ESRRA P11474 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDK2 Q15119 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NTRK1 P04629 2/20 0.33
PIK3CA P42336 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
SCHEMBL21546671 0.96 STS (0.37) STSMAP4K4ADRA2CCHEK1PRF1
SCHEMBL21414139 0.93 STS (0.39) STSPRMT5WDR77
SCHEMBL21546787 0.92 STS (0.37) STSMAP4K4ADRA2CCHEK1PRF1
SCHEMBL21546579 0.91 ADRA2C (0.40) MAP4K4ADRA2CCLK4CYP1A2CYP3A4
SCHEMBL21546665 0.90 STS (0.37) STSADRA2CCHEK1PRF1BRD4
SCHEMBL21414263 0.90 STS (0.38) STSCYP1A2CYP3A4PRMT5WDR77
SCHEMBL21929234 0.90 PRMT5 (0.39) STSMAP4K4CLK4CYP1A2CYP3A4
SCHEMBL21546807 0.89 STS (0.38) STSMAP4K4ADRA2CCHEK1PRF1
SCHEMBL21546919 0.89 MAT2A (0.38) STSPRF1ESRRBESRRAPDK2
SCHEMBL21546476 0.87 MAP4K4 (0.44) MAP4K4CHEK1CLK4PGRCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 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 (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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM STS 2957/4885MAP4K4 2642/4885ADRA2C 3840/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM STS 2957/4885MAP4K4 2642/4885ADRA2C 3840/4885

“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.