SCHEMBL4525626

SCHEMBL4525626

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.34
HDAC2 Q92769 5/20 0.34
PTPN5 P54829 3/20 0.34
TYMS P04818 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
DPP4 P27487 5/20 0.32
DPP7 Q9UHL4 5/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 2/20 0.32
PTPN1 P18031 1/20 0.32
BACE1 P56817 2/20 0.32
RAD52 P43351 1/20 0.32
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32

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
SCHEMBL4528551 0.99 HDAC1 (0.34) HDAC1HDAC2PTPN5TYMSABHD6
SCHEMBL4526785 0.89 PTPN5 (0.40) PTPN5DPP4DPP7
SCHEMBL4528058 0.87 RXRA (0.30)
SCHEMBL4533719 0.86 DPP4 (0.35) DPP4DPP7
SCHEMBL4521120 0.86 ABL1 (0.31)
SCHEMBL4527842 0.86 PTGDR2 (0.34)
SCHEMBL4522540 0.80 MAPT (0.33) DPP4DPP7DPP8DPP9PTPN1
SCHEMBL4524748 0.77 WDR5 (0.31)
SCHEMBL4523513 0.75
SCHEMBL4519257 0.74

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 HDAC1 1548/4885HDAC2 2515/4885PTPN5 1/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HDAC1 1548/4885HDAC2 2515/4885PTPN5 1/4885

“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.