SCHEMBL4522540

SCHEMBL4522540

CN1C(N)c2ccc(-c3c(F)cccc3N3CCCC3)cc2N(OC(=O)C(F)(F)F)C1N

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
APP P05067 1/20 0.31
RORC P51449 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
FEN1 P39748 1/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PTPN1 P18031 1/20 0.30
KCNQ2 O43526 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4521120 0.81 ABL1 (0.31)
SCHEMBL4524514 0.81 SCN9A (0.38) GAA
SCHEMBL4525626 0.80 HDAC1 (0.34) DPP4DPP7DPP8DPP9PTPN1
SCHEMBL4528058 0.78 RXRA (0.30)
SCHEMBL4526547 0.77 SCN9A (0.33) DPP4DPP7
SCHEMBL3729830 0.77 PTPN1 (0.34) MAPTDPP4DPP7KMT2APTPN1
SCHEMBL3739177 0.75 PTPN1 (0.33) DPP4DPP7PTPN1
SCHEMBL4529416 0.75 DPP4 (0.30) DPP4DPP7DPP8DPP9
SCHEMBL4510507 0.75 SCN9A (0.33) DPP4DPP7RORC
SCHEMBL4534722 0.74 KCNK3 (0.36) GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPT 3752/4885DPP4 136/4885DPP7 144/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MAPT 3752/4885DPP4 136/4885DPP7 144/4885

“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.