SCHEMBL12705243

SCHEMBL12705243

CN(C(=O)OC(C)(C)C)c1cccc(CCN)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
PAX8 Q06710 1/20 0.38
BRD4 O60885 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
NR3C2 P08235 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NQO2 P16083 1/20 0.32
SLC7A5 Q01650 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CREBBP Q92793 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
TTK P33981 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NR1H2 P55055 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
SCHEMBL12733838 0.92 ACHE (0.34) ACHEPAX8BRD4HCRTR1HCRTR2
SCHEMBL852583 0.88 PAX8 (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL23131099 0.85 PAX8 (0.40) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL14182011 0.85 PAX8 (0.40) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL14270690 0.85 CYP4F2 (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL31128424 0.85 CYP4F2 (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL14270683 0.84 PAX8 (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL8234289 0.84 PAX8 (0.36) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL22493865 0.84 PAX8 (0.36) PAX8BRD4IRAK4NPSR1NQO2
SCHEMBL4919601 0.83 PAX8 (0.37) PAX8BRD4IRAK4HTR2CSLC6A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488513-B1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC IMMUNE SA (CH) 2017-12-27 EP disclosed
US-9701660-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE S.A. (CH) 2017-07-11 US disclosed
US-9701660-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE S.A. (CH) 2017-07-11 US disclosed
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System AC IMMUNE S.A. (CH) 2015-01-22 US disclosed
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System AC IMMUNE S.A. (CH) 2015-01-22 US disclosed
US-8916590-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE SA (CH) 2014-12-23 US disclosed
US-8916590-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE SA (CH) 2014-12-23 US disclosed
WO-2011045383-A2 2, 6 -DIAMINOPYRIDINE COMPOUNDS FOR TREATING DISEASES ASSOCIATED WITH AMYLOID PROTEINS OR FOR TREATING OCULAR DISEASES AC IMMUNE S.A. (CH) 2011-04-21 WO disclosed
US-20110092537-A1 2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System AC IMMUNE S.A. (CH) 2011-04-21 US disclosed
US-20110092537-A1 2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System AC IMMUNE S.A. (CH) 2011-04-21 US disclosed
EP-2311823-A1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC Immune S.A. (CH) 2011-04-20 EP 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 (2 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-20110092537-A1 2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System APP, CLN6, DPYSL2 ACHE 220/4885PAX8 1986/4885BRD4 2805/4885
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System APP, CLN6, DPYSL2 ACHE 220/4885PAX8 1986/4885BRD4 2805/4885

“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.