SCHEMBL4523209

SCHEMBL4523209

CNc1nc(N)nc2cc(-c3c(F)cccc3N3CCCC3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.67
HRH4 Q9H3N8 5/20 0.43
FEN1 P39748 1/20 0.39
NLRP3 Q96P20 2/20 0.37
PRKDC P78527 1/20 0.36
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NUDT1 P36639 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4522538 0.92 PTPN1 (0.58) PTPN1HRH4FEN1
SCHEMBL4527626 0.87 PTPN1 (0.68) PTPN1HRH4NLRP3
SCHEMBL4533700 0.86 PTPN1 (0.51) PTPN1HRH4
SCHEMBL4517519 0.85 PTPN1 (0.51) PTPN1HRH4FEN1NLRP3
SCHEMBL5529862 0.81 PTPN1 (0.63) PTPN1HRH4NLRP3
SCHEMBL3732354 0.80 PTPN1 (1.00) PTPN1
SCHEMBL3732564 0.79 PTPN1 (0.98) PTPN1
SCHEMBL4523940 0.78 PTPN1 (0.64) PTPN1HRH4NLRP3
SCHEMBL4527908 0.78 PTPN1 (0.50) PTPN1
SCHEMBL4516229 0.77 PTPN1 (0.44) PTPN1HRH4FEN1NLRP3PRKDC

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 4 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
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US 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

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 3834/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885HRH4 3834/4885FEN1 3010/4885

“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.