SCHEMBL2107136

SCHEMBL2107136

CCOC(=O)c1cc2cc(Br)ncc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 3/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
MMP13 P45452 9/20 0.53
MMP2 P08253 6/20 0.53
MMP14 P50281 4/20 0.53

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
SCHEMBL29878461 1.00 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2108919 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29878255 0.85 RAB9A (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1769913 0.85 RAB9A (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9081991 0.84 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31030817 0.83 ALOX15 (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2814032 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1202654 0.83 ALOX15 (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3955334 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
Ethyne SCHEMBL2106806 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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
EP-4482583-B1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2026-04-01 EP disclosed
WO-2025026270-A1 BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-02-06 WO disclosed
CN-117069743-A GLP-1 receptor agonist 北京盛诺基医药科技股份有限公司 2023-11-17 CN disclosed
US-20220127267-A1 THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS AGIOS PHARMACEUTICALS INC (US) 2022-04-28 US disclosed
EP-3924056-A1 THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS Agios Pharmaceuticals, Inc. (US) 2021-12-22 EP disclosed
CN-113646050-A Thieno [3,2-B ] pyrrolo [3,2-D ] pyridazinone derivatives and their use as PKM2 derivatives for the treatment of cancer, obesity and diabetes related disorders 安吉奥斯医药品有限公司 2021-11-12 CN disclosed
WO-2020167976-A1 THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2020-08-20 WO disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 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-20220127267-A1 THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS PDK2, PDK1, PDK3 KDM4E 480/4885ALDH1A1 509/4885HPGD 1215/4885
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A KDM4E 3676/4885ALDH1A1 1646/4885HPGD 785/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB KDM4E 2422/4885ALDH1A1 720/4885HPGD 306/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KDM4E 2422/4885ALDH1A1 720/4885HPGD 306/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A KDM4E 3676/4885ALDH1A1 1646/4885HPGD 785/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KDM4E 2422/4885ALDH1A1 720/4885HPGD 306/4885

“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.