SCHEMBL20544402

SCHEMBL20544402

O=c1[nH]ncc2c1CCNC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GABRA1 P14867 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRB2 P47870 1/20 0.39
KMT2A Q03164 1/20 0.39
GMNN O75496 1/20 0.38
BLM P54132 1/20 0.38
CD44 P16070 2/20 0.37
PNMT P11086 5/20 0.35
MAOB P27338 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
ASIC3 Q9UHC3 1/20 0.34
SLC2A1 P11166 1/20 0.33

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
SCHEMBL26703722 0.85 PNMT (0.37) MEN1GABRA1CYP2C19GABRB2KMT2A
SCHEMBL9594487 0.75 DRD4 (0.46) SLC2A1
SCHEMBL1009530 0.75 DRD4 (0.42) SLC2A1
SCHEMBL7377305 0.74 PNMT (0.35) MEN1KMT2ACD44PNMTMAOB
SCHEMBL18822678 0.73 DRD4 (0.41) SLC2A1
SCHEMBL164154 0.72
Hydrochloric Acid SCHEMBL2743974 0.71 PNMT (0.39) CD44PNMTMAOBADRA2AADRA2B
Hydrochloric Acid SCHEMBL5465421 0.71 PNMT (0.39) CD44PNMTMAOBADRA2AADRA2B
Ammonia Solution, Strong SCHEMBL1764117 0.71 PNMT (0.39) CD44PNMTMAOBADRA2AADRA2B
SCHEMBL30458186 0.70 NISCH (0.46) MEN1GABRA1CYP2C19GABRB2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652180-B1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-11-29 EP claimed
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors DART NEUROSCIENCE, LLC (US) 2023-06-27 US claimed
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC 2022-08-25 US claimed
EP-3652180-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS Dart NeuroScience LLC (US) 2020-05-20 EP claimed
WO-2019014305-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-01-17 WO claimed
US-20260048059-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANC WIRTH KLAUS (DE) 2026-02-19 US disclosed
WO-2025264837-A1 NAPHTHYRIDINE GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 WO disclosed
EP-4572766-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE Mitodicure GmbH (DE) 2025-06-25 EP disclosed
WO-2024038090-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed
EP-3652180-B1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-11-29 EP disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 US disclosed
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors DART NEUROSCIENCE, LLC (US) 2023-06-27 US disclosed
US-10800786-B2 Bicyclic compounds as ATX inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-10-13 US disclosed
EP-3652180-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS Dart NeuroScience LLC (US) 2020-05-20 EP disclosed
US-20200087307-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-03-19 US disclosed
US-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2019-06-13 US disclosed
WO-2019104285-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-05-31 WO disclosed
WO-2019014305-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-01-17 WO disclosed
WO-2019014305-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-01-17 WO disclosed
US-20180312515-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-11-01 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 (8 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-10800786-B2 Bicyclic compounds as ATX inhibitors ATXN2, ATXN2L, ATXN10 MEN1 1737/4885GABRA1 3178/4885CYP2C19 4146/4885
US-20180312515-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN2L, ATXN10 MEN1 1601/4885GABRA1 3012/4885CYP2C19 4163/4885
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors PDE7A, PDE7B, PDE8B MEN1 3813/4885GABRA1 97/4885CYP2C19 174/4885
US-20260048059-A1 USE OF SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANC FANCF, EPAS1, PDE4C MEN1 711/4885GABRA1 1360/4885CYP2C19 487/4885
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A MEN1 1930/4885GABRA1 2487/4885CYP2C19 708/4885
US-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS PDE3A, PDE5A, PDE4A MEN1 1195/4885GABRA1 2177/4885CYP2C19 768/4885
US-20200087307-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN2L, ATXN10 MEN1 1737/4885GABRA1 3178/4885CYP2C19 4146/4885
US-20220267351-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS PDE7A, PDE7B, PDE8B MEN1 3813/4885GABRA1 97/4885CYP2C19 174/4885

“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.