SCHEMBL520252

SCHEMBL520252

CC1(C)OB(c2ccccc2C#N)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.42
LIPG Q9Y5X9 7/20 0.42
TSHR P16473 1/20 0.41
ESR2 Q92731 2/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
P4HB P07237 1/20 0.31
ANPEP P15144 1/20 0.31
LAP3 P28838 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL12922458 0.93 TSHR (0.38) LPLLIPGTSHRESR2KDM4E
SCHEMBL2657809 0.86 LPL (0.38) LPLLIPGTSHRESR2POLB
SCHEMBL20128323 0.86 TSHR (0.33) LPLLIPGTSHRESR2
SCHEMBL23855810 0.84 LPL (0.35) LPLLIPGTSHRESR2
SCHEMBL17698755 0.84 JAK2 (0.39) LPLLIPGTSHRESR2KDM4E
SCHEMBL21190523 0.83 LPL (0.34) LPLLIPGTSHRESR2
SCHEMBL20783261 0.83 LPL (0.34) LPLLIPGTSHRESR2
SCHEMBL19785357 0.83 LPL (0.34) LPLLIPGTSHRESR2
SCHEMBL29616950 0.83 LPL (0.37) LPLLIPGTSHRESR2
SCHEMBL17441674 0.83 SLC6A2 (0.37) LPLLIPGTSHRESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559310-B2 Reacting a halogen aromatic derivative at a coupling position with a diboron derivative in the presence of a Group VIII metal catalyst and a suitable base for covalently coupling organic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-05-06 US claimed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 US claimed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 US claimed
EP-4727546-A2 PROTEOSOME COMPLEX INHIBITORS TARGETING CLPP1P2 PROTEASE The Global Alliance for TB Drug Development, Inc. (US) 2026-04-22 EP disclosed
EP-4652164-A1 INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2025-11-26 EP disclosed
US-20250352550-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE UNIV MASARYKOVA (CZ) 2025-11-20 US disclosed
US-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2025-10-16 US disclosed
US-20250289792-A1 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE DERIVATIVES AS INHIBITORS OF MRGX2 SOLENT THERAPEUTICS LLC (US) 2025-09-18 US disclosed
EP-3915996-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2025-09-10 EP disclosed
EP-4602046-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE Masarykova Univerzita (CZ) 2025-08-20 EP disclosed
US-12383560-B2 Compounds and uses thereof FOGHORN THERAPEUTICS INC. (US) 2025-08-12 US disclosed
WO-2004099177-A1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-11-18 WO disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US disclosed
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
WO-2003093273-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 WO disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 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 (10 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 LPL 4750/4885LIPG 4868/4885TSHR 240/4885
US-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS PDXK, PPIP5K2, IP6K1 LPL 4185/4885LIPG 4471/4885TSHR 3727/4885
US-20250289792-A1 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE DERIVATIVES AS INHIBITORS OF MRGX2 TPX2, CBX2, RIOX2 LPL 4233/4885LIPG 1148/4885TSHR 517/4885
US-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 LPL 4181/4885LIPG 4621/4885TSHR 2306/4885
US-12383560-B2 Compounds and uses thereof VHL, CLN6, TFEB LPL 1810/4885LIPG 2836/4885TSHR 4351/4885
US-20250352550-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE FLT3, ROS1, MAP4K2 LPL 4726/4885LIPG 3782/4885TSHR 3332/4885
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 LPL 4861/4885LIPG 4880/4885TSHR 448/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B LPL 4584/4885LIPG 4847/4885TSHR 2491/4885
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 LPL 4762/4885LIPG 4876/4885TSHR 252/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 LPL 3649/4885LIPG 4342/4885TSHR 612/4885

“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.