SCHEMBL3595608

SCHEMBL3595608

CN(c1ccccc1)c1cnc(Nc2cccc(O)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.62
SYK P43405 9/20 0.53
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK8 P45983 2/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 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
SCHEMBL3592236 0.88 APP (0.55) APPSYKMAPK8AURKAAURKB
SCHEMBL3599638 0.83 APP (0.54) APPSYKAURKAMEN1KMT2A
SCHEMBL4552673 0.82 APP (0.60) APPSYKCYP3A4TSHRMAPK8
SCHEMBL3595281 0.78 SYK (0.60) APPSYKCYP3A4TSHRMAPK8
SCHEMBL14753402 0.78 HPGD (0.47) SYKTSHRMAPK8AURKAAURKB
SCHEMBL3602388 0.77 APP (1.00) APPSYKTSHR
SCHEMBL3590852 0.77 KCNH3 (0.51) SYKMAPK8AURKAAURKBMEN1
SCHEMBL31069506 0.75 SYK (0.66) APPSYKCYP3A4TSHRMAPK8
SCHEMBL29941318 0.74 SYK (0.70) APPSYKCYP3A4TSHRMAPK8
SCHEMBL3595433 0.74 KDR (0.46) APPSYKAURKAMEN1KMT2A

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 10 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 claimed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US claimed
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 2/4885SYK 3311/4885CYP3A4 4078/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT APP 2/4885SYK 3311/4885CYP3A4 4078/4885

“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.