SCHEMBL4533700

SCHEMBL4533700

CNc1nc(N)nc2cc(-c3c(F)cccc3N3CCN(Cc4ccccc4)CC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.51
NSD2 O96028 2/20 0.47
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 4/20 0.42
USP2 O75604 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC29A2 Q14542 1/20 0.41
SLC29A1 Q99808 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
HRH4 Q9H3N8 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 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
SCHEMBL4523209 0.86 PTPN1 (0.67) PTPN1HRH4
SCHEMBL4375695 0.83 PTPN1 (0.75) PTPN1NSD2ALDH1A1SLC29A2SLC29A1
Trifluoroacetic Acid SCHEMBL4522538 0.81 PTPN1 (0.58) PTPN1HRH4NPSR1GAA
SCHEMBL4517519 0.78 PTPN1 (0.51) PTPN1HRH4
Trifluoroacetic Acid SCHEMBL3729126 0.78 PTPN1 (0.66) PTPN1
SCHEMBL4527626 0.74 PTPN1 (0.68) PTPN1HRH4
SCHEMBL4381683 0.74 PTPN1 (0.76) PTPN1
SCHEMBL4523940 0.72 PTPN1 (0.64) PTPN1HRH4
SCHEMBL4527908 0.72 PTPN1 (0.50) PTPN1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL4526439 0.71 DHFR (0.50) PTPN1

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 11 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
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
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN 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 2/4885NSD2 3436/4885NCF1 713/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885NSD2 3436/4885NCF1 713/4885

“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.