SCHEMBL4528877

SCHEMBL4528877

C[S+]([O-])c1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.44
PTPN1 P18031 1/20 0.43
NLRP3 Q96P20 2/20 0.41
DHFR P00374 3/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KCNH2 Q12809 2/20 0.36
SLC2A1 P11166 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 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
SCHEMBL4528924 0.85 DHFR (0.46) APPPTPN1NLRP3DHFRKDM4E
SCHEMBL4525583 0.84 APP (0.48) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4527349 0.82 PTPN1 (0.47) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528868 0.81 PTPN1 (0.49) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4533722 0.81 APP (0.46) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528706 0.79 ALOX5AP (0.47) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4521108 0.79 APP (0.44) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4514778 0.79 DHFR (0.47) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4536277 0.79 CHUK (0.46) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528846 0.79 PTPN1 (0.66) APPPTPN1DHFRMAPK1KDM4E

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 3531/4885PTPN1 2/4885NLRP3 618/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885PTPN1 2/4885NLRP3 618/4885

“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.