SCHEMBL4523831

SCHEMBL4523831

CCSc1ccc(-c2ccc3c(c2)N=C(N)N(C)C3N)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
SLC6A4 P31645 1/20 0.33
MAOA P21397 1/20 0.33
PTGS2 P35354 1/20 0.31
CTSD P07339 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
SCHEMBL4528811 0.81 CTSD (0.44) BACE1MAOACTSD
SCHEMBL4528255 0.81 NR1I2 (0.35)
SCHEMBL4524788 0.76 BACE1 (0.37) BACE1CTSD
SCHEMBL4531452 0.76 HTR2A (0.31)
SCHEMBL4523203 0.76 MAP4K4 (0.46) BACE1CTSD
SCHEMBL4533462 0.75 SRC (0.38) CTSD
SCHEMBL4529247 0.73 HTR2A (0.30)
SCHEMBL4519696 0.73 CTSD (0.36) BACE1PTGS2CTSD
SCHEMBL4515188 0.72 BACE1 (0.41) BACE1CTSD
SCHEMBL4524953 0.71 BACE1 (0.40) BACE1CTSD

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 2 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

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 BACE1 3629/4885SLC6A4 1830/4885MAOA 965/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 BACE1 3629/4885SLC6A4 1830/4885MAOA 965/4885

“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.