Sugi Predict

Sugi Predict / Compounds / SCHEMBL20562829

SCHEMBL20562829

SCHEMBL20562829

Cc1cc2sccc2cc1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.37
▸ STING1 Q86WV6 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ CA2 P00918 5/20 0.33
▸ CA12 O43570 4/20 0.33
▸ PTPRC P08575 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ PTPN22 Q9Y2R2 1/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CTNNB1 P35222 1/20 0.30
▸ WNT3A P56704 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL19449873 0.90 CYP2A6 (0.34) CYP2A6STING1DYRK1ACA2CA12
SCHEMBL826944 0.82 CYP2A6 (0.42) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL28487476 0.79 DYRK1A (0.42) CYP2A6DYRK1ACA2CA12MAPT
SCHEMBL12403161 0.77 CYP2A6 (0.38) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL13736464 0.75 CYP2A6 (0.37) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL8427836 0.75 CYP2A6 (0.37) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL14607168 0.75 CYP2A6 (0.37) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL20562357 0.75 CYP2A6 (0.37) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL12403162 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL16472645 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11

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 20 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
CN-112409385-B Azaaryl compounds and uses thereof 上海青煜医药科技有限公司 2024-08-13 — — CN disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 — — CN 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-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 — — EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 — — US 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
EP-3774764-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS Merck Sharp&Dohme Corp. (US) 2021-02-17 — — EP disclosed
CN-111971277-A Benzothiophenes and related compounds as STING agonists 默沙东公司 2020-11-20 — — CN disclosed
US-10793557-B2 Sting agonist compounds MERCK SHARP & DOHME CORP. (US) 2020-10-06 — — US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 — — EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 — — CN disclosed
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 — — WO disclosed
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 — — WO disclosed
US-20190300513-A1 STING AGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-10-03 — — US disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 — — 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 (6 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-20190300513-A1 STING AGONIST COMPOUNDS STING1, CGAS, IRF3 CYP2A6 3504/4885STING1 1/4885DYRK1A 3713/4885
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 CYP2A6 2124/4885STING1 4746/4885DYRK1A 3225/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 CYP2A6 3504/4885STING1 1/4885DYRK1A 3713/4885
US-12583870-B2 Azaheteroaryl compound and application thereof NR3C1, EED, EZH2 CYP2A6 495/4885STING1 4684/4885DYRK1A 3517/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP2A6 131/4885STING1 153/4885DYRK1A 2654/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CYP2A6 131/4885STING1 153/4885DYRK1A 2654/4885

“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.