SCHEMBL4514778

SCHEMBL4514778

Nc1nc(NCCO)c2ccc(-c3ccccc3Oc3ccccc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.47
APP P05067 5/20 0.44
PTPN1 P18031 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN9A Q15858 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RAD52 P43351 3/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ABL1 P00519 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL4521785 0.84 DHFR (0.55) DHFRAPPPTPN1KDM4EMAPK1
SCHEMBL4525583 0.81 APP (0.48) DHFRAPPPTPN1MAPK1USP2
SCHEMBL4528868 0.81 PTPN1 (0.49) DHFRAPPPTPN1KDM4EMAPK1
SCHEMBL4527349 0.80 PTPN1 (0.47) DHFRAPPPTPN1HTTKDM4E
SCHEMBL4509986 0.80 DHFR (0.72) DHFRSCN9AFFAR4NCOA1NCOA3
SCHEMBL4528877 0.79 APP (0.44) DHFRAPPPTPN1HTTKDM4E
SCHEMBL4536277 0.79 CHUK (0.46) DHFRAPPPTPN1MAPK1USP2
SCHEMBL4528846 0.79 PTPN1 (0.66) DHFRAPPPTPN1KDM4EMAPK1
SCHEMBL4523826 0.78 PTPN1 (0.43) DHFRAPPPTPN1TAAR1MAPK1
SCHEMBL4521108 0.77 APP (0.44) DHFRAPPPTPN1KDM4EMAPK1

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 DHFR 2071/4885APP 3531/4885PTPN1 2/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885APP 3531/4885PTPN1 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.