SCHEMBL4534892

SCHEMBL4534892

CSc1cccc(SC)c1-c1ccc2c(NCCO)nc(N)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.43
NLRP3 Q96P20 4/20 0.43
PTPN1 P18031 2/20 0.41
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DHFR P00374 1/20 0.37
GHSR Q92847 1/20 0.37
HRH4 Q9H3N8 1/20 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
SCHEMBL4532451 0.90 PTPN1 (0.51) APPNLRP3PTPN1KCNH2
SCHEMBL4527349 0.89 PTPN1 (0.47) APPNLRP3PTPN1MAPK1KCNH2
SCHEMBL4526002 0.86 HRH4 (0.49) APPNLRP3PTPN1MAPK1KCNH2
SCHEMBL4529240 0.83 PTPN1 (0.53) NLRP3PTPN1DHFRHRH4
SCHEMBL4528798 0.83 RAD52 (0.45) APPNLRP3PTPN1MAPK1TAAR1
SCHEMBL4524773 0.83 NLRP3 (0.46) APPNLRP3PTPN1MAPK1KCNH2
SCHEMBL4533722 0.80 APP (0.46) APPNLRP3PTPN1MAPK1KCNH2
SCHEMBL5504782 0.78 NLRP3 (0.41) APPNLRP3PTPN1MAPK1KCNH2
SCHEMBL4525583 0.77 APP (0.48) APPNLRP3PTPN1MAPK1KCNH2
SCHEMBL4535277 0.77 CYP3A4 (0.40) APPNLRP3KCNH2DHFRHRH4

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 10 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
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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
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 APP 3531/4885NLRP3 618/4885PTPN1 2/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885NLRP3 618/4885PTPN1 2/4885

“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.