SCHEMBL21050753

SCHEMBL21050753

COc1nccc2ccc(F)c(Br)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.38
▸ CSNK2A1 P68400 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LRRK2 Q5S007 3/20 0.32
▸ APLNR P35414 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ MAPT P10636 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
SCHEMBL21563189 0.81 CSNK2A1 (0.36) TRPA1CSNK2A1HIPK2CYP1A2CYP3A4
SCHEMBL25829653 0.81 TRPA1 (0.38) TRPA1CSNK2A1HIPK2CYP1A2CYP3A4
SCHEMBL18544267 0.80 TRPA1 (0.38) TRPA1CSNK2A1HIPK2CYP1A2CYP3A4
SCHEMBL21598409 0.78 HPGD (0.40) TRPA1CSNK2A1HIPK2CYP1A2CYP3A4
SCHEMBL20687487 0.78 TRPA1 (0.36) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30990063 0.72 CSNK2A1 (0.40) CSNK2A1HIPK2HPGDSMN1; SMN2LRRK2
SCHEMBL3572514 0.72 CSNK2A1 (0.40) CSNK2A1HIPK2HPGDSMN1; SMN2LRRK2
SCHEMBL26694677 0.71 TRPA1 (0.32) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27243791 0.69 TRPA1 (0.52) TRPA1CSNK2A1HIPK2CYP1A2CYP3A4
SCHEMBL22034054 0.69 HPGD (0.37) TRPA1CSNK2A1HIPK2CYP1A2CYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 — — US disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 — — US disclosed
EP-4526309-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2025-03-26 — — EP disclosed
CN-119365467-A Aza-tetraepoxy aza compounds and uses thereof 基因泰克公司 2025-01-24 — — CN disclosed
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2024-11-07 — — US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 — — US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 — — US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 — — US disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 — — WO disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 — — WO disclosed
EP-4011886-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-15 — — EP 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
WO-2021023154-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-02-11 — — WO 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
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 TRPA1 3780/4885CSNK2A1 1076/4885HIPK2 4009/4885
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L TRPA1 2775/4885CSNK2A1 2860/4885HIPK2 867/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 TRPA1 3780/4885CSNK2A1 1076/4885HIPK2 4009/4885
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS CCNI, MCL1, MKI67 TRPA1 4641/4885CSNK2A1 411/4885HIPK2 3835/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L TRPA1 2775/4885CSNK2A1 2860/4885HIPK2 867/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS TRPA1 4084/4885CSNK2A1 500/4885HIPK2 1363/4885
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L TRPA1 2775/4885CSNK2A1 2860/4885HIPK2 867/4885

“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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