SCHEMBL4525583

SCHEMBL4525583

Cc1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.48
PTPN1 P18031 1/20 0.47
LCK P06239 1/20 0.46
KDR P35968 1/20 0.46
JAK3 P52333 1/20 0.46
MAPK14 Q16539 1/20 0.46
DHFR P00374 4/20 0.45
NLRP3 Q96P20 1/20 0.45
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
USP2 O75604 1/20 0.43
HIF1A Q16665 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL4516371 0.93 APP (0.46) APPPTPN1LCKKDRJAK3
SCHEMBL4531699 0.89 APP (0.62) APPPTPN1LCKKDRJAK3
SCHEMBL4534824 0.89 APP (0.49) APPPTPN1LCKKDRJAK3
SCHEMBL4526002 0.88 HRH4 (0.49) APPPTPN1NLRP3SLC2A1ALDH1A1
SCHEMBL4531688 0.87 NLRP3 (0.59) APPPTPN1LCKKDRJAK3
SCHEMBL4527349 0.86 PTPN1 (0.47) APPPTPN1DHFRNLRP3SLC2A1
SCHEMBL4528868 0.86 PTPN1 (0.49) APPPTPN1DHFRNLRP3MAPK1
SCHEMBL5502726 0.85 KCNH2 (0.42) APPLCKKDRJAK3MAPK14
SCHEMBL4536239 0.84 LCK (0.44) APPPTPN1LCKKDRJAK3
SCHEMBL4528877 0.84 APP (0.44) APPPTPN1DHFRNLRP3SLC2A1

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 2/4885LCK 80/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885PTPN1 2/4885LCK 80/4885

“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.