SCHEMBL4526032

SCHEMBL4526032

CCCC[Sn](CCCC)(CCCC)c1ccc2c(NC)nc(N)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.44
NLRP3 Q96P20 2/20 0.41
APP P05067 1/20 0.41
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 4/20 0.39
CYP2D6 P10635 1/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
ADORA1 P30542 1/20 0.38
PTPN1 P18031 2/20 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
SCHEMBL4510922 0.84 APP (0.48) KCNH2NLRP3APPTLR8TLR7
SCHEMBL4523710 0.81 PTPN1 (0.43) KCNH2NLRP3APPTLR8TLR7
SCHEMBL4559995 0.80 ALOX5AP (0.40) NLRP3PTPN1
Trifluoroacetic Acid SCHEMBL4528727 0.80 KCNH2 (0.38) KCNH2NLRP3TLR8TLR7PTPN1
SCHEMBL4514410 0.77 KCNH2 (0.40) KCNH2NLRP3TLR7
SCHEMBL4515282 0.76 TLR8 (0.38) KCNH2NLRP3TLR8TLR7ADORA1
SCHEMBL4517713 0.71 HRH4 (0.50) KCNH2NLRP3APPPTPN1
SCHEMBL4528809 0.68 DHFR (0.65) NLRP3APPPTPN1
SCHEMBL9901980 0.68 BDKRB2 (0.35)
SCHEMBL4519688 0.68 DHFR (0.52) NLRP3APPCYP2D6PTPN1

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 disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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 KCNH2 3854/4885NLRP3 618/4885APP 3531/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KCNH2 3854/4885NLRP3 618/4885APP 3531/4885

“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.