SCHEMBL12733902

SCHEMBL12733902

Cc1ccc2c(n1)NCCC2O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
ALOX5 P09917 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MERTK Q12866 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL19752012 0.81 UHRF1 (0.35) UHRF1PDK2PDK4DRD2DRD1
SCHEMBL1600410 0.79 ALOX5 (0.32) ALOX5
SCHEMBL15334499 0.71 HTR1A (0.36) PDK2DRD2DRD1SLC6A2SLC6A4
SCHEMBL6220371 0.71 UHRF1 (0.47) UHRF1
SCHEMBL21223232 0.69 GRM5 (0.41) PDK2PDK4DRD2DRD1METAP2
SCHEMBL7923006 0.69 HTR2C (0.33) UHRF1PDK2PDK4
SCHEMBL25693008 0.67 GRM5 (0.52) DRD2DRD1
SCHEMBL14931524 0.67 GRM5 (0.52) DRD2DRD1
SCHEMBL20153299 0.66 UHRF1 (0.40) UHRF1ALOX5
SCHEMBL279310 0.64 UHRF1 (0.43) UHRF1DRD2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 UHRF1 4417/4885PDK2 1853/4885PDK4 1493/4885
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 UHRF1 4417/4885PDK2 1853/4885PDK4 1493/4885

“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.