SCHEMBL1994355

SCHEMBL1994355

Nc1nc(N2CCOCC2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 1.00
MAPT P10636 1/20 0.60
ALDH1A1 P00352 5/20 0.57
GFER P55789 2/20 0.57
CHIT1 Q13231 4/20 0.45
KCNH2 Q12809 3/20 0.45
CHIA Q9BZP6 2/20 0.45
SLC6A3 Q01959 1/20 0.45
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2455907 0.82 GAA (0.69) GAAMAPTALDH1A1GFERCHIT1
SCHEMBL9793471 0.80 GAA (0.67) GAAMAPTALDH1A1GFERCHIT1
SCHEMBL31214493 0.78 GAA (0.63) GAAMAPTALDH1A1GFERCHIT1
SCHEMBL21888966 0.77 GAA (0.62) GAAALDH1A1PIK3CALMNAKDM4E
SCHEMBL9793417 0.77 GAA (0.62) GAAMAPTALDH1A1GFERCHIT1
SCHEMBL22750817 0.77 GAA (0.62) GAAMAPTALDH1A1PIK3R1PIK3CA
SCHEMBL23590378 0.73 GAA (0.57) GAAALDH1A1PIK3R1PIK3CAKDM4E
SCHEMBL13833291 0.73 GAA (0.57) GAAALDH1A1PIK3R1PIK3CAMTOR
SCHEMBL31214557 0.73 GAA (0.57) GAAMAPTALDH1A1GFERCHIT1
SCHEMBL31387185 0.72 GAA (0.56) GAAMAPTALDH1A1GFERCHIT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747253-A1 SPIROCYCLIC WRN HELICASE INHIBITORS Merck Sharp & Dohme LLC (US) 2026-05-27 EP disclosed
WO-2025014846-A1 SPIROCYCLIC WRN HELICASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-01-16 WO disclosed
US-20240360118-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2024-10-31 US disclosed
US-20240276957-A1 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. 2024-08-22 US disclosed
EP-4347596-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) Novartis AG (CH) 2024-04-10 EP disclosed
US-11878973-B2 Bicyclic compounds and their uses NOVARTIS AG (CH) 2024-01-23 US disclosed
CN-117425657-A Triazolo-pyrimidine analogs for the treatment of diseases associated with inhibition of Wonna syndrome RECzochralski enzyme (WRN) 诺华股份有限公司 2024-01-19 CN disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
WO-2022249060-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) NOVARTIS AG (CH) 2022-12-01 WO disclosed
CN-114174288-A Methods of treatment with aminolevulinic acid synthase 2(ALAS2) modulators 安吉奥斯医药品有限公司 2022-03-11 CN disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
US-4831029-A SEDATIVES, TRANQUILIZERS REITER JOZSEF (HU) 1989-05-16 US disclosed
CN-87107643-A CONDENSED CYCLIC TRIAZOLE DERIVATIVES 1988-08-24 CN 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 GAA 2400/4885MAPT 1882/4885ALDH1A1 1872/4885
US-20240360118-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 GAA 2524/4885MAPT 2519/4885ALDH1A1 2542/4885
US-11878973-B2 Bicyclic compounds and their uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 GAA 2524/4885MAPT 2519/4885ALDH1A1 2542/4885
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS GRM5, GRIK5, GRM1 GAA 1889/4885MAPT 1288/4885ALDH1A1 3951/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 GAA 2524/4885MAPT 2519/4885ALDH1A1 2542/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 GAA 2454/4885MAPT 1938/4885ALDH1A1 1892/4885

“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.