SCHEMBL4535530

SCHEMBL4535530

CN1C(N)=Nc2cc(-c3ccccc3OC(F)F)ccc2C1N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.40
SCN9A Q15858 4/20 0.38
FEN1 P39748 3/20 0.36
ALOX5AP P20292 2/20 0.36
ADRA2A P08913 5/20 0.34
ADRA2B P18089 5/20 0.34
ADRA2C P18825 5/20 0.34
BACE1 P56817 4/20 0.34
CTSD P07339 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
PDE10A Q9Y233 1/20 0.32
HTR2B P41595 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4521237 0.86 DHFR (0.43) FEN1ALOX5APBACE1CTSD
SCHEMBL4521790 0.83 BRD4 (0.46) SCN9AFEN1
SCHEMBL4519696 0.82 CTSD (0.36) BACE1CTSD
SCHEMBL4515188 0.81 BACE1 (0.41) FEN1ALOX5APBACE1CTSD
SCHEMBL4511015 0.80 ALOX5AP (0.40) FEN1ALOX5AP
SCHEMBL4533466 0.80 AR (0.42) SCN9AFEN1ALOX5AP
SCHEMBL4529709 0.80 ALDH1A1 (0.33) CTSDHTR2BHSD11B1
SCHEMBL4524953 0.80 BACE1 (0.40) SCN9AFEN1ALOX5APBACE1CTSD
SCHEMBL4528908 0.79 TRPA1 (0.44) SCN9AFEN1ALOX5APBACE1HSD11B1
SCHEMBL4529724 0.78 KCNH2 (0.34) FEN1ALOX5APBACE1CTSD

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 DRD1 4516/4885SCN9A 1783/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DRD1 4516/4885SCN9A 1783/4885FEN1 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.