SCHEMBL3594431

SCHEMBL3594431

Oc1cccc(Nc2ncc(Oc3cccc(N4CCCC4)c3)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.61
PKMYT1 Q99640 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CCNT1 O60563 3/20 0.43
CDK2 P24941 3/20 0.43
CDK9 P50750 3/20 0.43
KMT2A Q03164 2/20 0.43
CCNE1 P24864 1/20 0.43
SYK P43405 7/20 0.43
JAK2 O60674 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NSD2 O96028 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3607808 0.79 APP (0.72) APPCDK2KMT2ASYKMAPT
SCHEMBL2597608 0.78 CCNT1 (0.47) APPHDAC3HDAC1HDAC2HDAC6
SCHEMBL8064837 0.77 MET (0.51) APPPKMYT1HDAC3HDAC1HDAC2
SCHEMBL3602388 0.76 APP (1.00) APPSYKJAK2ALDH1A1TSHR
SCHEMBL3581486 0.75 APP (0.63) APPKMT2ASYKMAPTMEN1
SCHEMBL3600524 0.75 APP (0.62) APPSYK
SCHEMBL3608443 0.74 APP (0.58) APPPKMYT1KMT2ASYK
SCHEMBL2597646 0.74 MAPT (0.42) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL2597598 0.74 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6CCNT1
SCHEMBL3593855 0.71 APP (0.60) APPSYKJAK2

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-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP disclosed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 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 (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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT APP 2/4885PKMYT1 1972/4885HDAC3 4697/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT APP 2/4885PKMYT1 1972/4885HDAC3 4697/4885

“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.