SCHEMBL4523826

SCHEMBL4523826

Nc1nc(NCCO)c2ccc(-c3cccc(Cl)c3Cl)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
RAD52 P43351 1/20 0.42
NLRP3 Q96P20 1/20 0.41
APP P05067 4/20 0.41
DHFR P00374 1/20 0.41
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC2A1 P11166 1/20 0.40
MAP4K4 O95819 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
SGK1 O00141 1/20 0.39
NUDT1 P36639 1/20 0.39
CNR2 P34972 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4528798 0.87 RAD52 (0.45) PTPN1RAD52NLRP3APPKMT2A
SCHEMBL4532516 0.82 PTPN1 (0.61) PTPN1NLRP3DHFRMAP4K4MAPK1
SCHEMBL4528868 0.82 PTPN1 (0.49) PTPN1RAD52NLRP3APPDHFR
SCHEMBL4525583 0.82 APP (0.48) PTPN1NLRP3APPDHFRKMT2A
SCHEMBL5504782 0.82 NLRP3 (0.41) PTPN1RAD52NLRP3APPKMT2A
SCHEMBL4526002 0.81 HRH4 (0.49) PTPN1NLRP3APPKMT2ATAAR1
SCHEMBL4527349 0.80 PTPN1 (0.47) PTPN1NLRP3APPDHFRTAAR1
SCHEMBL4536277 0.79 CHUK (0.46) PTPN1NLRP3APPDHFRKMT2A
SCHEMBL4528846 0.79 PTPN1 (0.66) PTPN1APPDHFRMAPK1CYP2D6
SCHEMBL4524773 0.78 NLRP3 (0.46) PTPN1RAD52NLRP3APPTAAR1

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 PTPN1 2/4885RAD52 4617/4885NLRP3 618/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885RAD52 4617/4885NLRP3 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.