SCHEMBL4533719

SCHEMBL4533719

CN1C(N)c2ccc(-c3ccccc3Cl)cc2N(OC(=O)C(F)(F)F)C1N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
SCN9A Q15858 3/20 0.35
PDK2 Q15119 1/20 0.34
PAK1 Q13153 2/20 0.34
RORC P51449 4/20 0.34
AVPR2 P30518 3/20 0.33
AVPR1A P37288 3/20 0.33
LRRK2 Q5S007 1/20 0.33
DHODH Q02127 1/20 0.32
AOC3 Q16853 1/20 0.32
RORB Q92753 1/20 0.32
AR P10275 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL4510507 0.93 SCN9A (0.33) DPP4DPP7SCN9ARORCDHODH
SCHEMBL4521120 0.90 ABL1 (0.31)
SCHEMBL4525626 0.86 HDAC1 (0.34) DPP4DPP7
SCHEMBL4528058 0.85 RXRA (0.30)
SCHEMBL4520863 0.80 GAA (0.33) SCN9ALRRK2
SCHEMBL4525835 0.78 CTSA (0.35) DPP4DPP7
SCHEMBL4527842 0.77 PTGDR2 (0.34)
SCHEMBL4517028 0.77 ICMT (0.35) DPP4DPP7SCN9APDK2AR
SCHEMBL4522540 0.76 MAPT (0.33) DPP4DPP7RORC
SCHEMBL4523513 0.73

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 DPP4 136/4885DPP7 144/4885SCN9A 1783/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DPP4 136/4885DPP7 144/4885SCN9A 1783/4885

“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.