SCHEMBL5559958

SCHEMBL5559958

Nc1ccnc(C2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
PIK3CA P42336 1/20 0.43
MAPK1 P28482 3/20 0.38
ASIC3 Q9UHC3 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MAP3K12 Q12852 3/20 0.37
KDM5B Q9UGL1 1/20 0.36
DHFR P00374 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DYRK1A Q13627 1/20 0.34
CHRNA7 P36544 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL23365116 0.90 PIK3CD (0.36) PIK3CDPIK3CAMAPK1ASIC3ADORA2A
SCHEMBL29979707 0.90 PIK3CD (0.36) PIK3CDPIK3CAMAPK1ASIC3ADORA2A
SCHEMBL12068738 0.87 ADORA2A (0.45) MAPK1ASIC3ADORA2AADORA1HDAC3
SCHEMBL29851723 0.83 CHRNA7 (0.46) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL4183278 0.83 CHRNA7 (0.42) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL18957072 0.83 CHRNA7 (0.46) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL18956812 0.81 KDM4E (0.44) ASIC3ADORA2AADORA1HDAC3HDAC4
SCHEMBL22545239 0.81 ASIC3 (0.40) MAPK1ASIC3ADORA2AADORA1HDAC3
SCHEMBL30856759 0.81 ASIC3 (0.40) MAPK1ASIC3ADORA2AADORA1HDAC3
SCHEMBL30073115 0.81 KDM4E (0.44) ASIC3ADORA2AADORA1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
US-20230147993-A1 THIOPHENE COMPOUNDS WITH CYCLIC AMIDES, AND USES THEREOF CAPULUS THERAPEUTICS, LLC 2023-05-11 US disclosed
US-20230147993-A1 THIOPHENE COMPOUNDS WITH CYCLIC AMIDES, AND USES THEREOF CAPULUS THERAPEUTICS, LLC 2023-05-11 US disclosed
US-20230147993-A1 THIOPHENE COMPOUNDS WITH CYCLIC AMIDES, AND USES THEREOF CAPULUS THERAPEUTICS, LLC 2023-05-11 US disclosed
EP-4058016-A1 THIOPHENE COMPOUNDS WITH CYCLIC AMIDES, AND USES THEREOF Capulus Therapeutics, LLC (US) 2022-09-21 EP disclosed
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 US disclosed
WO-2015064580-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF 味の素株式会社 2015-05-07 WO disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US 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 (4 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-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF ITGA1, ITGB7, ITGB4 PIK3CD 1508/4885PIK3CA 1875/4885MAPK1 2211/4885
US-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 PIK3CD 2520/4885PIK3CA 2177/4885MAPK1 3067/4885
US-20230147993-A1 THIOPHENE COMPOUNDS WITH CYCLIC AMIDES, AND USES THEREOF SREBF1, SREBF2, FABP1 PIK3CD 2348/4885PIK3CA 1862/4885MAPK1 1586/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 PIK3CD 1094/4885PIK3CA 390/4885MAPK1 404/4885

“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.