SCHEMBL2058684

SCHEMBL2058684

CC(Br)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
GLA P06280 1/20 0.44
CNR1 P21554 13/20 0.43
S1PR1 P21453 1/20 0.43
CNR2 P34972 8/20 0.42
ENPP2 Q13822 1/20 0.41
ADRA1D P25100 3/20 0.40
ADRA2B P18089 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL30583585 1.00 GSK3B (0.47) GSK3BGLACNR1S1PR1CNR2
SCHEMBL28747372 0.89 CLK4 (0.46) GSK3B
SCHEMBL104898 0.83 GLA (0.46) GSK3BGLACNR1S1PR1CNR2
SCHEMBL3882898 0.83 GSK3B (0.50) GSK3BGLACNR1S1PR1CNR2
SCHEMBL11615116 0.83 GSK3B (0.50) GSK3BGLACNR1S1PR1CNR2
SCHEMBL27475654 0.82 GSK3B (0.46) GSK3BGLACNR1S1PR1CNR2
SCHEMBL23056923 0.80 GLA (0.44) GSK3BGLACNR1S1PR1CNR2
SCHEMBL6965820 0.80 TRPA1 (0.57) GSK3BCNR1CNR2ENPP2
SCHEMBL16959032 0.80 GLA (0.44) GSK3BGLACNR1S1PR1CNR2
SCHEMBL4095529 0.80 ENPP2 (0.46) GSK3BGLACNR1S1PR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS TAY THERAPEUTICS LTD (GB) 2026-01-01 US disclosed
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS SHANGHAI CO LTD (CN) 2025-10-23 US disclosed
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2025-08-21 US disclosed
EP-3976617-B1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2025-04-23 EP disclosed
US-20240360082-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2024-10-31 US disclosed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN disclosed
WO-2024018423-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2024-01-25 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
CN-1882529-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2006-12-20 CN disclosed
CN-1880317-A Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORP (US) 2006-12-20 CN disclosed
CN-1753887-A Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals SANNOFFE AVENTIS PHARMA GMBH (DE) 2006-03-29 CN disclosed
CN-1735614-A Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORP (US) 2006-02-15 CN disclosed
CN-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 CN disclosed
CN-1520416-A Carbohydrate derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-11 CN disclosed
EP-1276726-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
CN-1361765-A Aspartyl protease inhibitors VERTEX PHARMA (US) 2002-07-31 CN disclosed
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 US disclosed
WO-2001081316-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 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 (5 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-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, BRD4, PHKB GSK3B 2851/4885GLA 2830/4885CNR1 131/4885
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, PHKB, BRD4 GSK3B 2014/4885GLA 3687/4885CNR1 3394/4885
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST TLR3, TLR7, TLR8 GSK3B 2844/4885GLA 3845/4885CNR1 378/4885
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 GSK3B 1456/4885GLA 1111/4885CNR1 2465/4885
US-20240360082-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS PNPO, PDXK, PLPBP GSK3B 1355/4885GLA 2823/4885CNR1 3337/4885

“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.