SCHEMBL4529385

SCHEMBL4529385

CNc1nc(N)nc2cc(-c3ccccc3C(C)=O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.54
DHFR P00374 6/20 0.46
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
CHEK1 O14757 1/20 0.42
BACE1 P56817 1/20 0.40
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL4517419 0.91 PTPN1 (0.54) PTPN1DHFRALOX5APFEN1CHEK1
SCHEMBL4513782 0.91 PTPN1 (0.66) PTPN1DHFRALOX5AP
SCHEMBL4525906 0.88 SLC6A3 (0.53) PTPN1DHFRALOX5AP
SCHEMBL4524062 0.88 PTPN1 (0.55) PTPN1DHFR
Trifluoroacetic Acid SCHEMBL4517302 0.85 PTPN1 (0.59) PTPN1DHFRALOX5APFEN1
SCHEMBL4521967 0.84 DHFR (0.44) PTPN1DHFR
SCHEMBL13888564 0.84 PTPN1 (0.47) PTPN1DHFR
SCHEMBL4526254 0.84 PTPN1 (0.49) PTPN1DHFR
SCHEMBL4519688 0.82 DHFR (0.52) PTPN1DHFRHRH4
SCHEMBL4517308 0.82 PTPN1 (0.46) PTPN1DHFRALOX5APFEN1

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 9 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
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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
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 PTPN1 2/4885DHFR 2071/4885ALOX5AP 3709/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885DHFR 2071/4885ALOX5AP 3709/4885

“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.