SCHEMBL4517834

SCHEMBL4517834

Cc1ccccc1-c1ccc2c(NC(C)CO)nc(N)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
KCNH2 Q12809 6/20 0.45
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK14 Q16539 1/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 1/20 0.44
DHFR P00374 4/20 0.43
F2 P00734 2/20 0.42
PLG P00747 2/20 0.42
PRSS1 P07477 2/20 0.42
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 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
SCHEMBL5502726 0.91 KCNH2 (0.42) APPKCNH2LCKKDRJAK3
SCHEMBL4536239 0.82 LCK (0.44) APPLCKKDRJAK3MAPK14
SCHEMBL4525583 0.82 APP (0.48) APPKCNH2LCKKDRJAK3
SCHEMBL4515183 0.81 PTPN1 (0.59) LCKKDRJAK3MAPK14DHFR
SCHEMBL4531688 0.80 NLRP3 (0.59) APPLCKKDRJAK3MAPK14
SCHEMBL4516371 0.80 APP (0.46) APPKCNH2LCKKDRJAK3
SCHEMBL5502728 0.80 TLR8 (0.46) APPKCNH2LCKKDRJAK3
SCHEMBL4531699 0.78 APP (0.62) APPLCKKDRJAK3MAPK14
SCHEMBL4534824 0.78 APP (0.49) APPLCKKDRJAK3MAPK14
SCHEMBL23500961 0.77 KCNH2 (0.48) APPKCNH2TLR8TLR7CYP2D6

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885KCNH2 3854/4885LCK 80/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885KCNH2 3854/4885LCK 80/4885

“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.