SCHEMBL3590852

SCHEMBL3590852

CN(c1ccc(F)cc1)c1cnc(Nc2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 7/20 0.51
IGF1R P08069 2/20 0.46
AURKA O14965 2/20 0.45
CDK2 P24941 2/20 0.45
PLK4 O00444 1/20 0.45
PDPK1 O15530 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
INSR P06213 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CDK1 P06493 1/20 0.45
FES P07332 1/20 0.45
CSF1R P07333 1/20 0.45
LYN P07948 1/20 0.45
ROS1 P08922 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL3595433 0.88 KDR (0.46) AURKACDK2NTRK1LCKKDR
SCHEMBL14753402 0.86 HPGD (0.47) KCNH3IGF1RAURKACDK2PLK4
SCHEMBL14753408 0.86 AURKA (0.54) AURKACDK2CDK1KDRCDK5
SCHEMBL3592236 0.85 APP (0.55) AURKACDK2SYKMAPK8AURKB
SCHEMBL3584904 0.84 SYK (0.58) KCNH3IGF1RAURKACDK2CDK1
SCHEMBL4552673 0.80 APP (0.60) AURKASYKMAPK8AURKB
SCHEMBL3592775 0.78 HDAC3 (0.40) KCNH3AURKACDK2JAK2NTRK1
SCHEMBL3595608 0.77 APP (0.62) AURKASYKMAPK8AURKBHDAC6
SCHEMBL28385448 0.76 AURKA (0.59) KCNH3IGF1RAURKACDK2PLK4
SCHEMBL307380 0.74 CES1 (0.49) PTGS2MEN1KMT2AALDH1A1

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 7 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-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 KCNH3 4573/4885IGF1R 2758/4885AURKA 3836/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT KCNH3 4573/4885IGF1R 2758/4885AURKA 3836/4885

“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.