SCHEMBL23030152

SCHEMBL23030152

C#CCOc1ccc(F)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.45
▸ CA4 P22748 6/20 0.45
▸ CA9 Q16790 6/20 0.45
▸ CA1 P00915 2/20 0.45
▸ GSTP1 P09211 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ KAT6A Q92794 1/20 0.42
▸ MAOB P27338 10/20 0.41
▸ MAOA P21397 6/20 0.41
▸ ACHE P22303 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL31009815 1.00 CA12 (0.45) CA12CA4CA9CA1GSTP1
SCHEMBL18761828 0.83 GSTP1 (0.49) CA12CA4CA9CA1GSTP1
SCHEMBL10963900 0.79 MAOB (0.49) CA12CA4CA9CA1GSTP1
SCHEMBL28397565 0.79 GSTP1 (0.45) CA12CA4CA9CA1GSTP1
SCHEMBL15710785 0.76 NQO1 (0.50) CA12CA4CA9CA1CA2
SCHEMBL17453941 0.76 MAOB (0.33) MAOBMAOAKDM4E
SCHEMBL21718941 0.75 KDM4E (0.49) CA12CA4CA9CA1GSTP1
SCHEMBL28397137 0.75 GSTP1 (0.45) CA12CA4CA9CA1GSTP1
SCHEMBL21718842 0.75 CA12 (0.41) CA12CA4CA9CA1GSTP1
SCHEMBL9061932 0.74 CA12 (0.64) CA12CA4CA9CA1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583870-B2 Azaheteroaryl compound and application thereof SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2026-03-24 — — US disclosed
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 — — US disclosed
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 — — US disclosed
EP-4019521-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-06-29 — — EP disclosed
EP-4019521-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-06-29 — — EP disclosed
WO-2021032004-A9 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-03-25 — — WO disclosed
WO-2021032004-A9 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-03-25 — — WO disclosed
CN-112409385-A Azaaryl compounds and uses thereof 上海青煜医药科技有限公司 2021-02-26 — — CN disclosed
WO-2021032004-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-02-25 — — WO disclosed
WO-2021032004-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-02-25 — — WO disclosed
CN-110734436-A Pyrimidine or pyrazine ring compounds and application thereof 上海青煜医药科技有限公司 2020-01-31 — — CN disclosed
CN-110563722-A pyridine or pyridazine ring compound and application thereof 上海青煜医药科技有限公司 2019-12-13 — — CN 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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 CA12 3102/4885CA4 4409/4885CA9 3487/4885
US-12583870-B2 Azaheteroaryl compound and application thereof NR3C1, EED, EZH2 CA12 1604/4885CA4 2459/4885CA9 1820/4885

“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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