SCHEMBL21546818

SCHEMBL21546818

N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
RXRA P19793 1/20 0.37
RXRG P48443 1/20 0.37
PDK2 Q15119 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
MAT2A P31153 1/20 0.36
MAP4K4 O95819 1/20 0.34
ICMT O60725 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
ENPP1 P22413 1/20 0.33
CETP P11597 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A3 P47895 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SYK P43405 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
SCHEMBL19918031 1.00 PTPN5 (0.41) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL22822642 0.98 PTPN5 (0.41) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL21546782 0.96 PTPN5 (0.41) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL19903454 0.96 PTPN5 (0.41) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL19903455 0.95 PTPN5 (0.38) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL20617440 0.95 RXRA (0.41) PTPN5RXRARXRGICMT
SCHEMBL20617063 0.94 PTPN5 (0.38) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL19918029 0.94 PTPN5 (0.41) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL21546825 0.94 PTPN5 (0.41) PTPN5RXRARXRGPDK2GRIN1
SCHEMBL21414235 0.94 RXRA (0.41) PTPN5RXRARXRGICMT

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 4550/4885RXRA 3139/4885RXRG 2585/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885RXRA 3139/4885RXRG 2585/4885

“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.