SCHEMBL4520714

SCHEMBL4520714

CN1C(N)=Nc2cc(-c3ccccc3S(C)(=O)=O)ccc2C1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.42
FEN1 P39748 5/20 0.42
KLKB1 P03952 1/20 0.36
HSD11B1 P28845 1/20 0.36
F10 P00742 8/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LRRK2 Q5S007 1/20 0.34
JAK2 O60674 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL4523533 0.89 ALOX5AP (0.43) ALOX5APFEN1HSD11B1
SCHEMBL4511419 0.81 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL4514041 0.81 NR1H2 (0.38)
SCHEMBL4524953 0.81 BACE1 (0.40) ALOX5APFEN1HSD11B1ALDH1A1JAK2
SCHEMBL4521237 0.80 DHFR (0.43) ALOX5APFEN1KDM4EALDH1A1JAK2
SCHEMBL4517424 0.79 BCAT2 (0.41) ALOX5APFEN1KLKB1KDM4E
SCHEMBL4528811 0.79 CTSD (0.44) KDM4EALDH1A1JAK2KMT2A
SCHEMBL4528908 0.78 TRPA1 (0.44) ALOX5APFEN1HSD11B1ALDH1A1KMT2A
SCHEMBL4532717 0.77 CTSD (0.43) KDM4EALDH1A1KMT2A
SCHEMBL4532518 0.77 CNR2 (0.38)

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
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
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 ALOX5AP 3709/4885FEN1 3010/4885KLKB1 3904/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885KLKB1 3904/4885

“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.