SCHEMBL21546866

SCHEMBL21546866

N#Cc1cccc(-c2cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.43
PDK2 Q15119 1/20 0.41
MAP4K4 O95819 1/20 0.40
PGR P06401 1/20 0.39
CLK4 Q9HAZ1 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SYK P43405 2/20 0.38
MAT2A P31153 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
ENPP1 P22413 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL21546998 0.97 PTPN5 (0.41) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL21547123 0.96 PTPN5 (0.46) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL21547121 0.96 PTPN5 (0.43) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL22761174 0.95 PTPN5 (0.43) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL21546800 0.95 PTPN5 (0.40) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL22761207 0.94 PTPN5 (0.42) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL21547154 0.93 SYK (0.44) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL21547148 0.93 PTPN5 (0.41) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL21546869 0.93 PTPN5 (0.41) PTPN5PDK2MAP4K4PGRCLK4
SCHEMBL22760671 0.93 PTPN5 (0.44) PTPN5PDK2MAP4K4PGRCLK4

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 PTPN5 4550/4885PDK2 2517/4885MAP4K4 2642/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885PDK2 2517/4885MAP4K4 2642/4885

“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.