SCHEMBL21050842

SCHEMBL21050842

Cc1ccc2cc[n+]([O-])cc2c1Br

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL21137353 0.78 CYP1A2 (0.31) CYP1A2CYP2A6TSHR
SCHEMBL21050685 0.78 GPR84 (0.30)
SCHEMBL3696572 0.73 CYP2A6 (0.50) CYP1A2CYP2A6TSHR
SCHEMBL247299 0.72 GPR84 (0.36) CYP1A2
SCHEMBL31227814 0.71 CYP1A2 (0.42) CYP1A2CYP2A6
SCHEMBL31723362 0.70 GPR84 (0.30)
SCHEMBL3579335 0.69 ACHE (0.39)
SCHEMBL31280106 0.69 ACHE (0.39)
SCHEMBL13659534 0.68 ALDH1A1 (0.52) CYP1A2CYP2A6TSHR
SCHEMBL19706810 0.68 CYP2A6 (0.52) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed
US-11407765-B2 Tetracyclic heteroaryl compounds ASTRAZENECA, AB (SE) 2022-08-09 US disclosed
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA UK LIMITED (GB) 2022-06-30 US disclosed
CN-113508118-A Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2021-10-15 CN 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
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
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 (5 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 CYP1A2 106/4885CYP2A6 142/4885TSHR 2965/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 CYP1A2 106/4885CYP2A6 142/4885TSHR 2965/4885
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS MCL1, TP53, CCNA2 CYP1A2 464/4885CYP2A6 1071/4885TSHR 2944/4885
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS CCNI, MCL1, MKI67 CYP1A2 126/4885CYP2A6 111/4885TSHR 701/4885
US-11407765-B2 Tetracyclic heteroaryl compounds CCNI, MCL1, MKI67 CYP1A2 126/4885CYP2A6 111/4885TSHR 701/4885

“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.