SCHEMBL4526176

SCHEMBL4526176

CN1C(N)=Nc2cc(-c3c(Cl)cccc3Cl)ccc2C1N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.33
GRIA1 P42261 2/20 0.33
CACNG8 Q8WXS5 2/20 0.33
CTSD P07339 1/20 0.32
FGFR1 P11362 2/20 0.31
GRM2 Q14416 1/20 0.31
EGFR P00533 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
PRMT5 O14744 1/20 0.31
MAP3K14 Q99558 1/20 0.30
JAK2 O60674 1/20 0.30
TYK2 P29597 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
SCHEMBL4518695 0.94 GRIA1 (0.40) SRCGRIA1CACNG8CTSDMAP3K14
SCHEMBL4533462 0.89 SRC (0.38) SRCGRIA1CACNG8CTSD
SCHEMBL4524953 0.87 BACE1 (0.40) CTSDJAK2TYK2
SCHEMBL4532518 0.86 CNR2 (0.38)
SCHEMBL4524788 0.85 BACE1 (0.37) CTSD
SCHEMBL4528811 0.82 CTSD (0.44) CTSDJAK2
SCHEMBL4529247 0.82 HTR2A (0.30)
SCHEMBL4527945 0.81 SCN9A (0.36) CTSD
SCHEMBL4523947 0.77 TRPA1 (0.42)
SCHEMBL4532429 0.76 BACE1 (0.40) CTSD

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 8 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
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US 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 SRC 108/4885GRIA1 1562/4885CACNG8 4682/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SRC 108/4885GRIA1 1562/4885CACNG8 4682/4885

“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.