SCHEMBL21550760

SCHEMBL21550760

Cc1ccc2c(nnn2C2CCCCO2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ PDE8B O95263 7/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ RET P07949 3/20 0.33
▸ HCAR3 P49019 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 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
SCHEMBL31586146 0.85 PDE8B (0.40) CYP4F2CYP4A11PDE8BATRGAA
SCHEMBL21986747 0.81 PDE8B (0.38) CYP4F2CYP4A11PDE8BATRRXRA
SCHEMBL21986774 0.81 CYP4F2 (0.39) CYP4F2CYP4A11PDE8BATRRXRA
SCHEMBL21986776 0.81 CYP4F2 (0.37) CYP4F2CYP4A11PDE8BATRRXRA
SCHEMBL31585878 0.81 CYP4F2 (0.36) CYP4F2CYP4A11PDE8BCYP2C19ATR
SCHEMBL21986732 0.79 CYP4F2 (0.38) CYP4F2CYP4A11PDE8BATRRXRA
SCHEMBL31585865 0.77 RET (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24373243 0.77 GAA (0.41) CYP4F2CYP4A11CYP2C19ATRRXRA
SCHEMBL19637212 0.77 CYP4F2 (0.44) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL21050642 0.77 CYP2C19 (0.51) CYP4F2CYP4A11CYP2C19ATRMEN1

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 7 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
EP-3790884-A1 TETRACYCLIC HETEROARYL COMPOUNDS Astrazeneca AB (SE) 2021-03-17 — — EP disclosed
CN-112074520-A Tetracycloheteroaryl compounds 阿斯利康(瑞典)有限公司 2020-12-11 — — CN disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 — — WO disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 — — WO 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-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS CCNI, MCL1, MKI67 CYP4F2 60/4885CYP4A11 112/4885PDE8B 2932/4885
US-11407765-B2 Tetracyclic heteroaryl compounds CCNI, MCL1, MKI67 CYP4F2 60/4885CYP4A11 112/4885PDE8B 2932/4885

“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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