SCHEMBL22822142

SCHEMBL22822142

N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)c(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)cc4C#N)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
ENPP1 P22413 1/20 0.37
RXRA P19793 1/20 0.37
RXRG P48443 1/20 0.37
PDK2 Q15119 1/20 0.36
MAT2A P31153 1/20 0.36
TRPA1 O75762 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SYK P43405 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
XDH P47989 1/20 0.34
AR P10275 2/20 0.33
CCR6 P51684 1/20 0.33
GRM5 P41594 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
SCHEMBL21440721 0.98 PTPN5 (0.38) PTPN5GRIN1GRIN2BENPP1RXRA
SCHEMBL22822141 0.97 PTPN5 (0.39) PTPN5GRIN1GRIN2BENPP1RXRA
SCHEMBL19912453 0.96 GRIN1 (0.41) PTPN5GRIN1GRIN2BENPP1RXRA
SCHEMBL19903681 0.95 PTPN5 (0.39) PTPN5GRIN1GRIN2BENPP1RXRA
SCHEMBL21546651 0.95 ENPP1 (0.39) PTPN5GRIN1GRIN2BENPP1RXRA
SCHEMBL22822415 0.94 RXRA (0.42) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19903682 0.93 AR (0.39) PTPN5GRIN1GRIN2BENPP1RXRA
SCHEMBL22760612 0.93 PTPN5 (0.38) PTPN5GRIN1GRIN2BENPP1RXRA
SCHEMBL20617033 0.93 RXRA (0.41) GRIN1GRIN2BRXRARXRGXDH
SCHEMBL22822447 0.93 RXRA (0.41) GRIN1GRIN2BRXRARXRGXDH

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 4761/4885GRIN1 2183/4885GRIN2B 704/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 PTPN5 3703/4885GRIN1 3637/4885GRIN2B 2538/4885

“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.