SCHEMBL4517424

SCHEMBL4517424

CN1C(N)=Nc2cc(-c3ccccc3C(N)=O)ccc2C1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 1/20 0.41
PIK3CD O00329 3/20 0.39
CHEK1 O14757 1/20 0.39
KLKB1 P03952 1/20 0.37
TGFBR1 P36897 2/20 0.37
MAP4K1 Q92918 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CTSA P10619 1/20 0.35
PPARG P37231 3/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4519696 0.83 CTSD (0.36)
SCHEMBL4515188 0.82 BACE1 (0.41) ALOX5APFEN1JAK3
SCHEMBL4511419 0.81 ALOX5AP (0.40) ALOX5APFEN1PPARG
SCHEMBL4529709 0.81 ALDH1A1 (0.33)
SCHEMBL4521237 0.80 DHFR (0.43) ALOX5APFEN1KDM4E
SCHEMBL4511015 0.79 ALOX5AP (0.40) ALOX5APFEN1PPARG
SCHEMBL4533466 0.76 AR (0.42) ALOX5APFEN1KDM4E
SCHEMBL4528255 0.76 NR1I2 (0.35) ALOX5APFEN1
SCHEMBL4533682 0.71 BACE1 (0.41) HSP90AA1KDM4E
SCHEMBL4529724 0.70 KCNH2 (0.34) ALOX5APFEN1

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 BCAT2 1907/4885ALOX5AP 3709/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 BCAT2 1907/4885ALOX5AP 3709/4885FEN1 3010/4885

“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.