SCHEMBL23065370

SCHEMBL23065370

Cc1ccc(-c2ccccc2)cc1Nc1cc2c(cc1C)C(C)(C)c1cccc(C#N)c1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.34
▸ AR P10275 1/20 0.33
▸ FABP5 Q01469 2/20 0.33
▸ FABP7 O15540 1/20 0.33
▸ FABP3 P05413 1/20 0.33
▸ PGR P06401 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ STK10 O94804 2/20 0.31

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
SCHEMBL23040386 0.96 PDK2 (0.34) PDK2ARFABP5FABP7FABP3
SCHEMBL23040371 0.85 CAMKK2 (0.33) PDK2FABP5FABP3PGRCAMKK2
SCHEMBL23040350 0.83 PDK2 (0.36) PDK2PGRACLYCAMKK2KDM4E
SCHEMBL23064833 0.80 PDK2 (0.34) PDK2
SCHEMBL30827116 0.78 PDK2 (0.36) PDK2PGRACLYCAMKK2KDM4E
SCHEMBL23065215 0.78 PDK2 (0.34) PDK2
SCHEMBL23040367 0.78 HDAC1 (0.33) PDK2
SCHEMBL23937313 0.75 PDK2 (0.38) PDK2PGRCLK4KDM4EALDH1A1
SCHEMBL23937317 0.75 PDK2 (0.38) PDK2PGRCLK4KDM4EALDH1A1
SCHEMBL23040372 0.75 CAMKK2 (0.34) PDK2PGRCAMKK2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210066595-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING THE SAME Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-03-04 — — 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 (1 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-20210066595-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING THE SAME TYR, DDC, AOC2 PDK2 1053/4885AR 1702/4885FABP5 1700/4885

“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.

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