SCHEMBL21546526

SCHEMBL21546526

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
PDK2 Q15119 1/20 0.39
PGR P06401 3/20 0.35
ENPP1 P22413 1/20 0.35
ALDH1A3 P47895 1/20 0.35
SYK P43405 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
MAP4K4 O95819 1/20 0.34
ADORA2A P29274 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
GABRA1 P14867 1/20 0.33
PRF1 P14222 1/20 0.33
CHEK1 O14757 1/20 0.33
PDPK1 O15530 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
SCHEMBL22761171 0.98 PTPN5 (0.43) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL22760672 0.95 PTPN5 (0.44) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL21546870 0.95 PTPN5 (0.41) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL21546865 0.95 PTPN5 (0.39) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL21547126 0.94 PTPN5 (0.43) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL21546869 0.93 PTPN5 (0.41) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL22760793 0.93 PTPN5 (0.40) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL21546862 0.93 PTPN5 (0.43) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL21547137 0.92 PTPN5 (0.41) PTPN5PDK2PGRENPP1ALDH1A3
SCHEMBL21547119 0.92 PTPN5 (0.46) PTPN5PDK2PGRALDH1A3SYK

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 2517/4885PGR 3398/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885PDK2 2517/4885PGR 3398/4885

“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.