SCHEMBL4516229

SCHEMBL4516229

CNc1nc(N)nc2cc(-c3cc(F)cc(F)c3N3CCCC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
HRH4 Q9H3N8 6/20 0.36
SSTR2 P30874 1/20 0.36
NLRP3 Q96P20 2/20 0.35
NUDT1 P36639 2/20 0.35
FEN1 P39748 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TERT O14746 1/20 0.34
DHFR P00374 1/20 0.34
PRKDC P78527 1/20 0.34

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
SCHEMBL4511216 0.78 NLRP3 (0.45) PTPN1HRH4NLRP3DHFR
SCHEMBL4523209 0.77 PTPN1 (0.67) PTPN1HRH4NLRP3NUDT1FEN1
SCHEMBL4528291 0.76 DHFR (0.46) NLRP3DHFR
SCHEMBL4527423 0.75 KCNH2 (0.43) PTPN1NLRP3DHFR
SCHEMBL27679380 0.75 KCNH2 (0.46) PTPN1NLRP3DHFR
SCHEMBL4526439 0.75 DHFR (0.50) PTPN1NLRP3FEN1DHFR
SCHEMBL4529133 0.72 PTPN1 (0.43) PTPN1HRH4NLRP3NUDT1HRH1
SCHEMBL4526712 0.72 PTPN1 (0.45) PTPN1HRH4NLRP3NUDT1HRH1
SCHEMBL4517519 0.71 PTPN1 (0.51) PTPN1HRH4NLRP3FEN1DHFR
SCHEMBL4527626 0.71 PTPN1 (0.68) PTPN1HRH4NLRP3

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 10 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
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 2/4885HRH4 3834/4885SSTR2 4187/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885HRH4 3834/4885SSTR2 4187/4885

“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.