SCHEMBL4524099

SCHEMBL4524099

CC(O)CNc1nc(N)nc2cc(-c3c(Cl)cccc3Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.43
APP P05067 5/20 0.41
MAP4K4 O95819 1/20 0.40
PTPN1 P18031 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
TARS1 P26639 2/20 0.38
SRC P12931 1/20 0.38
DHFR P00374 1/20 0.37

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 SCHEMBL4519544 0.91 APP (0.40) NLRP3APPTARS1DHFR
SCHEMBL13888562 0.91 HRH4 (0.47) NLRP3APPHRH4TARS1SRC
SCHEMBL4528798 0.83 RAD52 (0.45) NLRP3APPMAP4K4PTPN1HRH4
SCHEMBL4519548 0.82 NLRP3 (0.37) NLRP3APPMAP4K4PTPN1HRH4
SCHEMBL4526172 0.81 PTPN1 (0.59) NLRP3APPMAP4K4PTPN1HRH4
SCHEMBL4536239 0.80 LCK (0.44) NLRP3APPPTPN1DHFR
SCHEMBL5504786 0.79 KCNH2 (0.37) NLRP3APPMAP4K4
SCHEMBL5504782 0.78 NLRP3 (0.41) NLRP3APPMAP4K4PTPN1
SCHEMBL23500926 0.77 APP (0.46) NLRP3APPHRH4
SCHEMBL29653744 0.77 APP (0.46) NLRP3APPHRH4

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 NLRP3 618/4885APP 3531/4885MAP4K4 639/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 NLRP3 618/4885APP 3531/4885MAP4K4 639/4885

“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.