SCHEMBL21546787

SCHEMBL21546787

N#Cc1cccc(-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)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
PRF1 P14222 1/20 0.36
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35
ADRA2C P18825 1/20 0.34
CHEK1 O14757 1/20 0.34
BRD4 O60885 1/20 0.34
PGR P06401 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PDK2 Q15119 1/20 0.33
IDO1 P14902 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAP4K4 O95819 1/20 0.32
LRRK2 Q5S007 2/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL21546665 0.96 STS (0.37) STSPRF1ESRRBESRRAADRA2C
SCHEMBL21546784 0.92 STS (0.38) STSPRF1ESRRBESRRAADRA2C
SCHEMBL21546722 0.91 ADRA2C (0.39) ADRA2CCLK4PDK2
SCHEMBL21929236 0.90 PRMT5 (0.39) STSPRF1ESRRBESRRACLK4
SCHEMBL21546671 0.90 STS (0.37) STSPRF1ESRRBESRRAADRA2C
SCHEMBL21546918 0.89 MAT2A (0.38) STSPRF1ESRRBESRRAPDK2
SCHEMBL21414258 0.89 STS (0.38) STSPRMT5WDR77
SCHEMBL21546811 0.88 STS (0.38) STSPRF1ESRRBESRRAADRA2C
SCHEMBL21546746 0.88 MAP4K4 (0.40) CHEK1PGRCLK4IDO1MAP4K4
SCHEMBL21546655 0.86 CLK4 (0.41) PRF1ADRA2CBRD4CLK4IDO1

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 2957/4885PRF1 4364/4885ESRRB 1155/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM STS 2957/4885PRF1 4364/4885ESRRB 1155/4885

“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.