SCHEMBL22822320

SCHEMBL22822320

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cc(C#N)cc(C(F)(F)F)c5)cc4-n4c5ccccc5c5ccc(-c6cccc(C)c6)cc54)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
XDH P47989 2/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PTPN5 P54829 2/20 0.32
SYK P43405 1/20 0.32
KIF11 P52732 1/20 0.32
ENPP1 P22413 1/20 0.31
MAT2A P31153 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDK2 Q15119 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL22822436 0.96 AR (0.46) ARXDHRXRARXRGGRIN1
SCHEMBL19903633 0.95 AR (0.45) ARXDHGRIN1GRIN2BPTPN5
SCHEMBL22822441 0.94 AR (0.43) ARXDHRXRARXRGGRIN1
SCHEMBL22822318 0.94 AR (0.43) ARXDHRXRARXRGGRIN1
SCHEMBL22822449 0.94 RXRA (0.36) ARXDHRXRARXRGGRIN1
SCHEMBL22822438 0.93 AR (0.39) ARXDHRXRARXRGPTPN5
SCHEMBL22822479 0.93 PTPN5 (0.39) XDHRXRARXRGGRIN1GRIN2B
SCHEMBL22822323 0.92 AR (0.45) ARXDHRXRARXRGGRIN1
SCHEMBL22822647 0.92 KIF11 (0.34) ARXDHRXRARXRGKIF11
SCHEMBL22564190 0.92 RXRA (0.40) XDHRXRARXRGGRIN1GRIN2B

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 AR 4374/4885XDH 430/4885RXRA 3552/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4325/4885XDH 125/4885RXRA 3876/4885

“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.