SCHEMBL442176

SCHEMBL442176

Nc1ncc2n[c][nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL5043216 0.71 NPC1 (0.44) ALDH1A1
SCHEMBL140621 0.68 ALDH1A1 (0.50) ALDH1A1
SCHEMBL30112896 0.67 CLK1 (0.43) ALDH1A1
2-Aminopurine SCHEMBL5631 0.67 ALDH1A1 (0.48) ALDH1A1
SCHEMBL29802574 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1644969 0.67 ALDH1A1 (0.38) ALDH1A1
2-Aminopurine SCHEMBL29901502 0.67 ALDH1A1 (0.48) ALDH1A1
2-Aminopurine SCHEMBL28283405 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL1839886 0.65 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5942175 0.64 BCL6 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143643-A1 LOW DK COPPER CLAD LAMINATE COMPOSITIONS DESIGNER MOLECULES INC (US) 2023-05-11 US disclosed
US-20230095931-A1 UV-CURABLE RESIN COMPOSITIONS SUITABLE FOR REDISTRIBUTION LAYERS DESIGNER MOLECULES INC (US) 2023-03-30 US disclosed
EP-4097756-A2 UV-CURABLE RESIN COMPOSITIONS SUITABLE FOR REDISTRIBUTION LAYERS Designer Molecules, Inc. (US) 2022-12-07 EP disclosed
US-20220213267-A1 EXTREME HIGH TEMPERATURE STABLE ADHESIVES AND COATINGS DESIGNER MOLECULES, INC 2022-07-07 US disclosed
US-20220204766-A1 HIGH MOLECULAR WEIGHT FLEXIBLE CURABLE POLYIMIDES DESIGNER MOLECULES, INC 2022-06-30 US disclosed
US-20220204696-A1 PHENOLIC FUNCTIONALIZED POLYIMIDES AND COMPOSITIONS THEREOF DESIGNER MOLECULES, INC 2022-06-30 US disclosed
US-20210301133-A1 CURABLE POLYIMIDES DESIGNER MOLECULES INC (US) 2021-09-30 US disclosed
WO-2021154898-A2 UV-CURABLE RESIN COMPOSITIONS SUITABLE FOR REDISTRIBUTION LAYERS DESIGNER MOLECULES, INC (US) 2021-08-05 WO disclosed
WO-2021113415-A1 LOW DK COPPER CLAD LAMINATE COMPOSITIONS DESIGNER MOLECULES, INC (US) 2021-06-10 WO disclosed
CN-108291122-B Anionically curable compositions 设计分子有限公司 2021-01-05 CN disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 US disclosed
US-7138399-B2 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2006-11-21 US disclosed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US disclosed
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP disclosed
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2005-08-04 US disclosed
WO-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 WO disclosed
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 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 (3 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-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 ALDH1A1 2327/4885
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved NOS2, PNP, PTGIS ALDH1A1 650/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALDH1A1 1435/4885

“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.