SCHEMBL2987114

SCHEMBL2987114

O=C(CBr)c1ccc(I)s1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.62
PTPN1 P18031 4/20 0.39
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL13409520 0.81 GSK3B (0.39) GSK3BCES2CES1DAO
SCHEMBL660893 0.79 POLB (0.46) GSK3BDAO
SCHEMBL1359642 0.78 GSK3B (0.67) GSK3BPTPN1
SCHEMBL193501 0.77 GSK3B (1.00) GSK3BCES2CES1DAO
SCHEMBL18153171 0.77 GSK3B (0.64) GSK3BPTPN1DAO
SCHEMBL4806223 0.75 GSK3B (0.62) GSK3BPTPN1CES2CES1DAO
SCHEMBL11172498 0.75 GSK3B (0.62) GSK3BPTPN1CES2CES1DAO
SCHEMBL230769 0.75 GSK3B (0.68) GSK3BDAO
SCHEMBL6394534 0.75 GSK3B (0.62) GSK3BDAO
SCHEMBL2974396 0.75 MELK (0.37) GSK3B

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
CN-117050051-B Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone Shanghai yaotan pharmaceutical research and Development Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-117050051-A Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone 上海药坦药物研究开发有限公司 2023-11-14 CN claimed
CN-117050051-B Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone Shanghai yaotan pharmaceutical research and Development Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-117050051-B Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone Shanghai yaotan pharmaceutical research and Development Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-117050051-B Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone Shanghai yaotan pharmaceutical research and Development Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-117050051-A Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone 上海药坦药物研究开发有限公司 2023-11-14 CN disclosed
CN-117050051-A Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone 上海药坦药物研究开发有限公司 2023-11-14 CN disclosed
CN-117050051-A Purification method of 2-bromo-1- (5-iodothiophene-2-yl) -ethanone 上海药坦药物研究开发有限公司 2023-11-14 CN disclosed
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-3057963-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT Boehringer Ingelheim International GmbH (DE) 2016-08-24 EP disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 WO disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (3 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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 GSK3B 3668/4885PTPN1 3507/4885CES2 1015/4885
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 GSK3B 241/4885PTPN1 1702/4885CES2 4293/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 GSK3B 241/4885PTPN1 1702/4885CES2 4293/4885

“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.