SCHEMBL3602388

SCHEMBL3602388

CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 1.00
SYK P43405 10/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MAP3K5 Q99683 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
JAK2 O60674 1/20 0.41
FLT3 P36888 1/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL3591217 0.87 APP (0.77) APPALDH1A1MAP3K5BRAFBCHE
SCHEMBL14753415 0.86 APP (0.76) APPALDH1A1MAP3K5BCHEACHE
SCHEMBL3589836 0.86 APP (0.76) APPSYK
SCHEMBL3653866 0.86 APP (0.75) APPSYKALDH1A1TSHRMAP3K5
SCHEMBL3598097 0.85 APP (0.74) APPSYKMAP3K5BCHEACHE
SCHEMBL3607808 0.84 APP (0.72) APPSYKRAF1BRAF
SCHEMBL3653081 0.78 APP (0.64) APPALDH1A1TSHRBCHEACHE
SCHEMBL3581486 0.77 APP (0.63) APPSYKALDH1A1TSHRBCHE
SCHEMBL3600524 0.77 APP (0.62) APPSYK
SCHEMBL3595608 0.77 APP (0.62) APPSYKTSHR

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 9 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
CN-101448794-A Pyrimidine derivatives for the treatment of amyloid-related diseases SENEXIS LTD (GB) 2009-06-03 CN 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 2/4885SYK 3311/4885ALDH1A1 2200/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT APP 2/4885SYK 3311/4885ALDH1A1 2200/4885

“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.