SCHEMBL4529709

SCHEMBL4529709

CN1C(N)=Nc2cc(-c3ccccc3Br)ccc2C1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.31
HTR1A P08908 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HTR5A P47898 1/20 0.31
CTSD P07339 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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 0.87 CTSD (0.36) ALDH1A1CTSDNPC1RAB9AHSD17B10
SCHEMBL4515188 0.86 BACE1 (0.41) ALDH1A1MAPK1HTR1AHTR2CCTSD
SCHEMBL4524953 0.85 BACE1 (0.40) ALDH1A1MAPK1HSD11B1CTSDHSD17B10
SCHEMBL4521237 0.84 DHFR (0.43) ALDH1A1CTSDHSD17B10
SCHEMBL4511419 0.82 ALOX5AP (0.40)
SCHEMBL4511015 0.82 ALOX5AP (0.40)
SCHEMBL4528811 0.82 CTSD (0.44) ALDH1A1MAOACTSDHSD17B10
SCHEMBL4528908 0.81 TRPA1 (0.44) ALDH1A1MAPK1HSD11B1
SCHEMBL4532717 0.81 CTSD (0.43) ALDH1A1MAOACTSDHSD17B10
SCHEMBL4532518 0.81 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 ALDH1A1 1591/4885MAPK1 382/4885HSD11B1 1265/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALDH1A1 1591/4885MAPK1 382/4885HSD11B1 1265/4885

“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.