SCHEMBL21546891

SCHEMBL21546891

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2-c2cccc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.42
MAT2A P31153 1/20 0.41
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
PDK2 Q15119 1/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
MAP4K4 O95819 1/20 0.37
GRM5 P41594 1/20 0.36
TRPA1 O75762 1/20 0.36
KIF11 P52732 1/20 0.35
PGR P06401 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SYK P43405 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL21546516 0.96 PTPN5 (0.44) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL21546926 0.96 PTPN5 (0.41) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL21547070 0.95 PTPN5 (0.42) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL21546643 0.94 RXRA (0.42) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL20617253 0.93 PTPN5 (0.42) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL21547106 0.93 KIF11 (0.44) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL21547090 0.93 PTPN5 (0.47) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL21547130 0.92 PTPN5 (0.44) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL21546920 0.92 PTPN5 (0.41) PTPN5MAT2ARXRARXRGPDK2
SCHEMBL19903602 0.92 PTPN5 (0.41) PTPN5MAT2ARXRARXRGPDK2

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.