SCHEMBL4526547

SCHEMBL4526547

CN1C(N)c2ccc(-c3ccccc3-c3ccccc3)cc2N(OC(=O)C(F)(F)F)C1N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.33
BACE1 P56817 2/20 0.32
TYMS P04818 1/20 0.32
SCN5A Q14524 1/20 0.32
PTPN5 P54829 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL4525626 0.93 HDAC1 (0.34) BACE1TYMSPTPN5DPP4DPP7
SCHEMBL4521120 0.83 ABL1 (0.31)
SCHEMBL4528058 0.82 RXRA (0.30)
SCHEMBL4520863 0.81 GAA (0.33) SCN9ABACE1
SCHEMBL4535355 0.79 RXRA (0.36) AKR1C3AKR1C2PTGDR2
SCHEMBL4527842 0.79 PTGDR2 (0.34) PTGDR2
SCHEMBL4517028 0.79 ICMT (0.35) SCN9ATYMSDPP4DPP7
SCHEMBL4522540 0.77 MAPT (0.33) DPP4DPP7
SCHEMBL4534722 0.77 KCNK3 (0.36) SCN9A
SCHEMBL4524748 0.77 WDR5 (0.31)

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 SCN9A 1783/4885BACE1 3629/4885TYMS 3478/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SCN9A 1783/4885BACE1 3629/4885TYMS 3478/4885

“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.