SCHEMBL21050756

SCHEMBL21050756

Cc1ccc2c(c1Br)C(=O)NC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.40
KDR P35968 5/20 0.39
CLK4 Q9HAZ1 4/20 0.37
DYRK1B Q9Y463 3/20 0.37
FYN P06241 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
NTRK1 P04629 2/20 0.36
PIM1 P11309 2/20 0.36
FLT3 P36888 2/20 0.36
GSK3B P49841 2/20 0.36
ROCK1 Q13464 2/20 0.36
DAPK3 O43293 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
AGTR1 P30556 2/20 0.35
NTRK2 Q16620 2/20 0.34
TYRO3 Q06418 1/20 0.34
CSNK1A1 P48729 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
SCHEMBL22972502 0.81 AURKA (0.42) AURKAKDRCLK4DYRK1BFYN
SCHEMBL21833955 0.78 AURKA (0.40) AURKAKDRCLK4DYRK1BFYN
SCHEMBL12240957 0.78 CLK4 (0.43) AURKAKDRCLK4DYRK1BFYN
SCHEMBL21050803 0.78 AURKA (0.40) AURKAKDRCLK4DYRK1BFYN
SCHEMBL10200892 0.78 AURKA (0.44) AURKAKDRCLK4DYRK1BFYN
SCHEMBL10200893 0.77 KDR (0.39) AURKAKDRCA12CA9ALDH1A1
SCHEMBL24338046 0.75 CLK4 (0.39) AURKAKDRCLK4DYRK1BFYN
SCHEMBL25767330 0.75 AURKA (0.38) AURKAKDRCLK4DYRK1BFYN
SCHEMBL12654234 0.73 AURKA (0.59) AURKAKDRCLK4DYRK1BFYN
SCHEMBL13613691 0.70 CLK4 (0.46) AURKAKDRCLK4DYRK1BFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407765-B2 Tetracyclic heteroaryl compounds ASTRAZENECA, AB (SE) 2022-08-09 US disclosed
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2021-07-22 US disclosed
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2021-07-22 US disclosed
CN-112074520-A Tetracycloheteroaryl compounds 阿斯利康(瑞典)有限公司 2020-12-11 CN disclosed
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (4 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 AURKA 2263/4885KDR 1519/4885CLK4 3309/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 AURKA 2263/4885KDR 1519/4885CLK4 3309/4885
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS CCNI, MCL1, MKI67 AURKA 1385/4885KDR 514/4885CLK4 2103/4885
US-11407765-B2 Tetracyclic heteroaryl compounds CCNI, MCL1, MKI67 AURKA 1385/4885KDR 514/4885CLK4 2103/4885

“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.