SCHEMBL12705294

SCHEMBL12705294

c1ccc(CCNc2cccc(NCCc3ccc4c(n3)NCCC4)n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.60
CYP1A2 P05177 1/20 0.51
CXCR4 P61073 6/20 0.51
ITGAV P06756 9/20 0.44
ITGB3 P05106 8/20 0.44
ITGB6 P18564 2/20 0.42
ITGB5 P18084 1/20 0.42
ITGB8 P26012 1/20 0.42

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
SCHEMBL12705223 0.85 CXCR4 (0.44) APPCXCR4ITGAVITGB3ITGB6
SCHEMBL12705298 0.85 APP (0.48) APPCYP1A2CXCR4ITGAVITGB3
SCHEMBL13355352 0.82 CXCR4 (0.67) CXCR4ITGAVITGB3ITGB6ITGB5
SCHEMBL12710167 0.82 APP (0.43) APPCXCR4ITGAVITGB3ITGB6
SCHEMBL19752007 0.80 APP (0.45) APPCXCR4ITGAVITGB3ITGB6
SCHEMBL19751933 0.78 CYP1A2 (0.84) APPCYP1A2CXCR4
SCHEMBL12705205 0.76 APP (1.00) APPCYP1A2
SCHEMBL12705055 0.76 APP (1.00) APPCYP1A2
SCHEMBL4776073 0.74 ITGAV (0.43) CXCR4ITGAVITGB3ITGB6
SCHEMBL3138678 0.74 ITGAV (0.54) CXCR4ITGAVITGB3ITGB6ITGB5

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 APP 1/4885CYP1A2 2029/4885CXCR4 3189/4885
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 APP 1/4885CYP1A2 2029/4885CXCR4 3189/4885

“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.