SCHEMBL4511464

SCHEMBL4511464

CCCNc1nc(N)nc2cc(-c3c(C)cccc3C)ccc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.61
NLRP3 Q96P20 3/20 0.50
HRH4 Q9H3N8 1/20 0.50
SRC P12931 1/20 0.49
SLC2A1 P11166 1/20 0.44
PDE5A O76074 1/20 0.44
TLR8 Q9NR97 3/20 0.42
TLR7 Q9NYK1 3/20 0.42
PTPN1 P18031 1/20 0.42
KCNH2 Q12809 2/20 0.41

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
SCHEMBL4511363 0.90 NLRP3 (0.61) APPNLRP3HRH4SRC
Trifluoroacetic Acid SCHEMBL4523507 0.89 APP (0.53) APPNLRP3HRH4SRCSLC2A1
SCHEMBL4526002 0.89 HRH4 (0.49) APPNLRP3HRH4SRCSLC2A1
SCHEMBL4531699 0.88 APP (0.62) APPNLRP3SLC2A1PDE5ATLR8
SCHEMBL4533460 0.83 HRH4 (0.55) APPNLRP3HRH4SRCPTPN1
SCHEMBL13888562 0.82 HRH4 (0.47) APPNLRP3HRH4SRCKCNH2
Trifluoroacetic Acid SCHEMBL4519252 0.80 NLRP3 (0.51) APPNLRP3HRH4SRCPTPN1
Trifluoroacetic Acid SCHEMBL4517024 0.79 APP (0.54) APPNLRP3SLC2A1PDE5ATLR7
SCHEMBL4534824 0.78 APP (0.49) APPNLRP3PTPN1
SCHEMBL4528798 0.78 RAD52 (0.45) APPNLRP3HRH4SLC2A1PTPN1

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 APP 3531/4885NLRP3 618/4885HRH4 3834/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885NLRP3 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.