SCHEMBL17080828

SCHEMBL17080828

CCOC(=O)c1cc2c(Br)cncc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 8/20 0.51
▸ SELE P16581 8/20 0.51
▸ PTPN2 P17706 2/20 0.47
▸ VCAM1 P19320 5/20 0.44
▸ CDC7 O00311 2/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42

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
SCHEMBL30430905 1.00 ICAM1 (0.51) ICAM1SELEPTPN2VCAM1CDC7
SCHEMBL7255085 0.84 ICAM1 (0.52) ICAM1SELEPTPN2VCAM1CDC7
SCHEMBL29831616 0.84 ICAM1 (0.56) ICAM1SELEPTPN2VCAM1CDC7
SCHEMBL5550652 0.84 ICAM1 (0.56) ICAM1SELEPTPN2VCAM1CDC7
SCHEMBL27192049 0.83 ICAM1 (0.54) ICAM1SELEPTPN2VCAM1CDC7
SCHEMBL31509890 0.83 ICAM1 (0.54) ICAM1SELEPTPN2VCAM1CDC7
SCHEMBL20278452 0.81 CDK8 (0.55) ICAM1SELEVCAM1CDC7CDK8
SCHEMBL20906131 0.80 PTPN2 (0.49) ICAM1SELEPTPN2KDM4E
SCHEMBL18105584 0.79 ICAM1 (0.53) ICAM1SELEVCAM1CDC7CDK8
SCHEMBL17080891 0.79 SLC9A1 (0.53) ICAM1SELEPTPN2KDM4EGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878551-A Preparation method of 4-bromothieno [2,3-c ] pyridine-2-carboxylic acid ethyl ester 安徽大学 2024-11-01 — — CN claimed
CN-118878551-B Preparation method of 4-bromothieno [2,3-c ] pyridine-2-carboxylic acid ethyl ester 安徽大学 2026-04-28 — — CN disclosed
CN-118878551-B Preparation method of 4-bromothieno [2,3-c ] pyridine-2-carboxylic acid ethyl ester 安徽大学 2026-04-28 — — CN disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
CN-118878551-A Preparation method of 4-bromothieno [2,3-c ] pyridine-2-carboxylic acid ethyl ester 安徽大学 2024-11-01 — — CN disclosed
CN-118878551-A Preparation method of 4-bromothieno [2,3-c ] pyridine-2-carboxylic acid ethyl ester 安徽大学 2024-11-01 — — CN disclosed
CN-118878551-A Preparation method of 4-bromothieno [2,3-c ] pyridine-2-carboxylic acid ethyl ester 安徽大学 2024-11-01 — — CN disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 — — US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
EP-3275867-B1 PYRIDO-FUSED BICYCLIC COMPOUNDS AS URAT1 INHIBITORS FOR TREATING HYPERURICEMIA SHANGHAI YINGLI PHARM CO LTD (CN) 2020-06-10 — — EP disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 — — EP disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 — — WO disclosed
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2018-03-15 — — US disclosed
EP-3275867-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2018-01-31 — — EP disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 — — US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 — — US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 — — EP disclosed
WO-2016150255-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海璎黎药业有限公司 2016-09-29 — — WO disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 — — 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ICAM1 2883/4885SELE 3804/4885PTPN2 878/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ICAM1 2883/4885SELE 3804/4885PTPN2 878/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ICAM1 2883/4885SELE 3804/4885PTPN2 878/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ICAM1 2883/4885SELE 3804/4885PTPN2 878/4885
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF URB2, UGP2, NLRP3 ICAM1 3383/4885SELE 4482/4885PTPN2 4644/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 ICAM1 4793/4885SELE 3681/4885PTPN2 1492/4885

“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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