SCHEMBL22822641

SCHEMBL22822641

N#Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
RXRA P19793 1/20 0.39
RXRG P48443 1/20 0.39
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
PDK2 Q15119 1/20 0.36
MAT2A P31153 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PGR P06401 2/20 0.33
ADORA2B P29275 1/20 0.33
KIF11 P52732 1/20 0.33
ENPP1 P22413 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
SCHEMBL21546825 0.98 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL19918029 0.98 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617063 0.96 PTPN5 (0.38) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617061 0.96 RXRA (0.42) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL19903455 0.95 PTPN5 (0.38) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL22822504 0.95 RXRA (0.45) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617387 0.95 RXRA (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617436 0.95 RXRA (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL22822642 0.94 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL19903661 0.94 RXRA (0.41) PTPN5RXRARXRGGRIN1GRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 US 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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 PTPN5 4761/4885RXRA 3552/4885RXRG 3138/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PTPN5 3703/4885RXRA 3876/4885RXRG 3543/4885

“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.