SCHEMBL21546920

SCHEMBL21546920

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(C(F)(F)F)cc(-n5c6cc(-c7cc(C#N)cc(C#N)c7)ccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)c4-c4cccc(C#N)c4)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
MAT2A P31153 1/20 0.40
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
PDK2 Q15119 1/20 0.37
GRM5 P41594 1/20 0.35
TRPA1 O75762 1/20 0.35
KIF11 P52732 1/20 0.35
SYK P43405 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAP4K4 O95819 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 2/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CCR6 P51684 1/20 0.33
TGFBR1 P36897 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
SCHEMBL21547129 0.96 PTPN5 (0.43) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL21546917 0.96 PTPN5 (0.41) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL22760754 0.95 PTPN5 (0.41) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL21546623 0.94 RXRA (0.41) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL21547114 0.93 PTPN5 (0.44) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL21547083 0.93 PTPN5 (0.46) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL21546913 0.92 PTPN5 (0.43) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL20617259 0.92 PTPN5 (0.42) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL21546891 0.92 PTPN5 (0.42) PTPN5MAT2ARXRARXRGGRIN1
SCHEMBL19918044 0.91 PTPN5 (0.41) PTPN5MAT2ARXRARXRGGRIN1

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 4550/4885MAT2A 1149/4885RXRA 3139/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885MAT2A 1149/4885RXRA 3139/4885

“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.