SCHEMBL4533722

SCHEMBL4533722

CCSc1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.46
PTPN1 P18031 2/20 0.45
NLRP3 Q96P20 3/20 0.43
DHFR P00374 3/20 0.43
MAPK1 P28482 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KCNH2 Q12809 5/20 0.39
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
ADORA1 P30542 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
SCHEMBL4527349 0.90 PTPN1 (0.47) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528252 0.86 DHFR (0.46) APPPTPN1NLRP3DHFRALOX5AP
SCHEMBL4525583 0.84 APP (0.48) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528868 0.81 PTPN1 (0.49) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528877 0.81 APP (0.44) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4534892 0.80 APP (0.43) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528706 0.79 ALOX5AP (0.47) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4521108 0.79 APP (0.44) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4536277 0.79 CHUK (0.46) APPPTPN1NLRP3DHFRMAPK1
SCHEMBL4528846 0.79 PTPN1 (0.66) APPPTPN1DHFRMAPK1CYP2D6

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 8 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
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.