SCHEMBL226062

SCHEMBL226062

Brc1ccc2sccc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
DYRK1A Q13627 1/20 0.46
HSP90AA1 P07900 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
CA2 P00918 5/20 0.39
CA12 O43570 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL30714252 1.00 CYP2A6 (0.50) CYP2A6DYRK1AHSP90AA1PTPRCPTPN6
SCHEMBL28744566 0.94 CYP2A6 (0.50) CYP2A6DYRK1AHSP90AA1PTPRCPTPN6
SCHEMBL29263832 0.84 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL25061130 0.83 DYRK1A (0.58) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL20984002 0.83 DYRK1A (0.58) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL405354 0.81 CYP2A6 (0.41) CYP2A6DYRK1AHSP90AA1KDM4EMEN1
SCHEMBL30623084 0.81 CYP2A6 (0.41) CYP2A6DYRK1AHSP90AA1KDM4EMEN1
SCHEMBL20180340 0.78 DYRK1A (0.53) CYP2A6DYRK1ACA2CA12MEN1
SCHEMBL28745027 0.76 CYP2A6 (0.37) CYP2A6DYRK1AHSP90AA1PTPRCPTPN6
SCHEMBL164774 0.73 CYP2A6 (0.50) 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 910 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059955-A Imidazo pyridone compound, photocatalysis continuous synthesis method and application thereof 南京工业大学 2026-05-19 CN claimed
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US claimed
CN-114853795-A Arylboron compound of conjugated olefin and preparation method and application thereof 南京工业大学 2022-08-05 CN claimed
CN-114656502-A Water-soluble aggregation-induced emission photosensitizer and preparation method thereof 华东理工大学 2022-06-24 CN claimed
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 EP disclosed
US-20260084134-A1 STORAGE AND DELIVERY OF GASEOUS CHEMICAL REACTANTS IN CHEMICAL PROCESSES USING METAL-ORGANIC FRAMEWORKS UNIV CORNELL (US) 2026-03-26 US disclosed
US-12583870-B2 Azaheteroaryl compound and application thereof SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2026-03-24 US disclosed
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
WO-2025244832-A1 NOVEL AMINOGUANIDINE DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF KONG'S PHARMACEUTICAL CO. (US) 2025-11-27 WO disclosed
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
EP-4650002-A1 ANILINE-BASED MODULATORS OF THE NUCLEAR RECEPTOR TLX (NR2E1) Ludwig-Maximilians-Universität (DE) 2025-11-19 EP disclosed
US-12459912-B2 Advantageous benzothiophene compositions for mental disorders or enhancement TACTOGEN INC (US) 2025-11-04 US disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed
EP-0560554-A2 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-09-15 EP disclosed
US-5169860-A Benzofuran or benzothiophene arylsulfonylureas ELI LILLY AND COMPANY (US) 1992-12-08 US disclosed
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 EP 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-12583870-B2 Azaheteroaryl compound and application thereof NR3C1, EED, EZH2 CYP2A6 495/4885DYRK1A 3517/4885HSP90AA1 1899/4885
US-20260084134-A1 STORAGE AND DELIVERY OF GASEOUS CHEMICAL REACTANTS IN CHEMICAL PROCESSES USING METAL-ORGANIC FRAMEWORKS ME3, ME2, SLC25A11 CYP2A6 1626/4885DYRK1A 4740/4885HSP90AA1 2381/4885
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 CYP2A6 1062/4885DYRK1A 3701/4885HSP90AA1 776/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 CYP2A6 51/4885DYRK1A 3559/4885HSP90AA1 339/4885
US-12459912-B2 Advantageous benzothiophene compositions for mental disorders or enhancement SLC6A3, CREBBP, SLC1A2 CYP2A6 1879/4885DYRK1A 1082/4885HSP90AA1 1683/4885
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class HTR2C, SLC6A2, DRD2 CYP2A6 284/4885DYRK1A 1592/4885HSP90AA1 2594/4885

“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.