SCHEMBL4523825

SCHEMBL4523825

CCSc1ccc(-c2ccc3c(NC)nc(N)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.46
DHFR P00374 5/20 0.43
MAP4K4 O95819 1/20 0.39
NOS1 P29475 1/20 0.38
KCNH2 Q12809 3/20 0.37
TRIM58 Q8NG06 1/20 0.37
APP P05067 1/20 0.37
PTPN1 P18031 2/20 0.37
HRH4 Q9H3N8 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 SCHEMBL4527839 0.89 NLRP3 (0.39) NLRP3DHFRKCNH2TRIM58APP
SCHEMBL4525495 0.85 DHFR (0.47) NLRP3DHFRMAP4K4NOS1TRIM58
SCHEMBL4528809 0.81 DHFR (0.65) NLRP3DHFRMAP4K4TRIM58APP
SCHEMBL4528252 0.81 DHFR (0.46) NLRP3DHFRNOS1APPPTPN1
SCHEMBL4532712 0.79 DHFR (0.61) NLRP3DHFRMAP4K4TRIM58APP
SCHEMBL4532427 0.77 DHFR (0.46) NLRP3DHFRMAP4K4TRIM58PTPN1
SCHEMBL4524783 0.76 MAP4K4 (0.52) NLRP3DHFRMAP4K4TRIM58APP
Trifluoroacetic Acid SCHEMBL4529413 0.76 DHFR (0.40) NLRP3DHFRTRIM58PTPN1HRH4
SCHEMBL4531449 0.75 PTPN1 (0.53) NLRP3APPPTPN1
SCHEMBL4523200 0.74 MAP4K4 (0.52) NLRP3DHFRMAP4K4

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 618/4885DHFR 2071/4885MAP4K4 639/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 NLRP3 618/4885DHFR 2071/4885MAP4K4 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.