SCHEMBL4517519

SCHEMBL4517519

CNc1nc(N)nc2cc(-c3c(F)cccc3F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.51
NLRP3 Q96P20 3/20 0.45
HRH4 Q9H3N8 1/20 0.42
DHFR P00374 4/20 0.41
MAP4K4 O95819 1/20 0.41
SRC P12931 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
APP P05067 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4523940 0.89 PTPN1 (0.64) PTPN1NLRP3HRH4
SCHEMBL4527908 0.89 PTPN1 (0.50) PTPN1DHFRAPP
SCHEMBL4511216 0.89 NLRP3 (0.45) PTPN1NLRP3HRH4DHFRAPP
SCHEMBL4533460 0.86 HRH4 (0.55) PTPN1NLRP3HRH4DHFRMAP4K4
SCHEMBL4523209 0.85 PTPN1 (0.67) PTPN1NLRP3HRH4FEN1
SCHEMBL4526439 0.85 DHFR (0.50) PTPN1NLRP3DHFRMAP4K4ALOX5AP
SCHEMBL4526578 0.84 KCNH2 (0.41) PTPN1NLRP3DHFRALOX5APFEN1
SCHEMBL4526172 0.84 PTPN1 (0.59) PTPN1NLRP3HRH4DHFRMAP4K4
SCHEMBL4527944 0.83 PTPN1 (0.57) PTPN1NLRP3HRH4DHFRAPP
SCHEMBL4533676 0.82 DHFR (0.53) PTPN1NLRP3HRH4DHFRAPP

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 2/4885NLRP3 618/4885HRH4 3834/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885NLRP3 618/4885HRH4 3834/4885

“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.