SCHEMBL21546918

SCHEMBL21546918

N#Cc1cccc(-c2c(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc(C(F)(F)F)cc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
CETP P11597 1/20 0.36
PDK2 Q15119 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN5 P54829 1/20 0.35
XDH P47989 1/20 0.35
PRF1 P14222 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ENPP1 P22413 1/20 0.35
KIF11 P52732 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
ESRRB O95718 1/20 0.34
ESRRA P11474 1/20 0.34
STS P08842 1/20 0.33
TRPA1 O75762 1/20 0.33
AR P10275 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 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
SCHEMBL21547105 0.96 PDK2 (0.36) MAT2ACETPPDK2PTGDR2PTPN5
SCHEMBL21546919 0.93 MAT2A (0.38) MAT2ACETPPDK2PTGDR2PTPN5
SCHEMBL21547112 0.92 GABRA1 (0.39) MAT2ACETPPDK2PTGDR2PTPN5
SCHEMBL21547107 0.91 PDK2 (0.36) MAT2ACETPPDK2PTGDR2PTPN5
SCHEMBL20617414 0.90 RXRA (0.38) CETPXDHALOX5APFEN1KIF11
SCHEMBL21546787 0.89 STS (0.37) PDK2PRF1ESRRBESRRASTS
SCHEMBL21547129 0.89 PTPN5 (0.43) MAT2APDK2PTGDR2PTPN5XDH
SCHEMBL21547113 0.89 GABRA1 (0.38) MAT2ACETPPDK2PTGDR2PTPN5
SCHEMBL21547114 0.88 PTPN5 (0.44) MAT2APDK2PTGDR2PTPN5XDH
SCHEMBL21547026 0.88 MAT2A (0.43) MAT2ACETPPDK2PTGDR2PTPN5

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 MAT2A 1149/4885CETP 3548/4885PDK2 2517/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAT2A 1149/4885CETP 3548/4885PDK2 2517/4885

“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.