SCHEMBL4516371

SCHEMBL4516371

Cc1ccccc1-c1ccc2c(NCCCO)nc(N)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.46
NLRP3 Q96P20 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK14 Q16539 1/20 0.44
DHFR P00374 5/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
USP2 O75604 1/20 0.42
HIF1A Q16665 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL4525583 0.93 APP (0.48) APPNLRP3KMT2ALCKKDR
SCHEMBL5502726 0.91 KCNH2 (0.42) APPNLRP3MEN1KMT2ALCK
SCHEMBL4534824 0.87 APP (0.49) APPNLRP3LCKKDRJAK3
SCHEMBL4531699 0.87 APP (0.62) APPNLRP3LCKKDRJAK3
SCHEMBL4531688 0.85 NLRP3 (0.59) APPNLRP3LCKKDRJAK3
SCHEMBL4536239 0.82 LCK (0.44) APPNLRP3LCKKDRJAK3
SCHEMBL4526002 0.81 HRH4 (0.49) APPNLRP3KMT2AALDH1A1HSD17B10
SCHEMBL4515183 0.81 PTPN1 (0.59) LCKKDRJAK3MAPK14DHFR
Trifluoroacetic Acid SCHEMBL4517024 0.81 APP (0.54) APPNLRP3LCKKDRJAK3
SCHEMBL4527349 0.80 PTPN1 (0.47) APPNLRP3DHFRMAPK1KCNH2

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 3531/4885NLRP3 618/4885MEN1 4622/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 APP 3531/4885NLRP3 618/4885MEN1 4622/4885

“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.