SCHEMBL4511216

SCHEMBL4511216

CNc1nc(N)nc2cc(-c3c(F)cc(F)cc3F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.45
PTPN1 P18031 5/20 0.40
KCNH2 Q12809 2/20 0.40
DHFR P00374 4/20 0.39
HRH4 Q9H3N8 1/20 0.37
APP P05067 2/20 0.36

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 SCHEMBL5499368 0.90 PTPN1 (0.39) NLRP3PTPN1KCNH2DHFRAPP
SCHEMBL4517519 0.89 PTPN1 (0.51) NLRP3PTPN1KCNH2DHFRHRH4
SCHEMBL4531641 0.81 DHFR (0.46) NLRP3PTPN1KCNH2DHFRHRH4
SCHEMBL4533460 0.81 HRH4 (0.55) NLRP3PTPN1DHFRHRH4APP
SCHEMBL4526439 0.80 DHFR (0.50) NLRP3PTPN1DHFR
SCHEMBL4527908 0.79 PTPN1 (0.50) PTPN1DHFRAPP
SCHEMBL4523940 0.79 PTPN1 (0.64) NLRP3PTPN1HRH4
SCHEMBL4528291 0.79 DHFR (0.46) NLRP3KCNH2DHFRAPP
Trifluoroacetic Acid SCHEMBL4528727 0.79 KCNH2 (0.38) NLRP3PTPN1KCNH2HRH4
SCHEMBL4526172 0.78 PTPN1 (0.59) NLRP3PTPN1DHFRHRH4APP

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 618/4885PTPN1 2/4885KCNH2 3854/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 NLRP3 618/4885PTPN1 2/4885KCNH2 3854/4885

“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.