SCHEMBL4532429

SCHEMBL4532429

CSc1cccc(-c2ccc3c(c2)N=C(N)N(C)C3N)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.40
CTSD P07339 2/20 0.38
IDO1 P14902 1/20 0.35
TGFBR1 P36897 1/20 0.34
LRRK2 Q5S007 1/20 0.31
SYK P43405 1/20 0.31
ALOX5 P09917 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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 0.85 CTSD (0.44) BACE1CTSD
SCHEMBL4529247 0.82 HTR2A (0.30)
SCHEMBL4533462 0.79 SRC (0.38) CTSD
SCHEMBL4524788 0.77 BACE1 (0.37) BACE1CTSD
SCHEMBL4526176 0.76 SRC (0.33) CTSD
SCHEMBL4524953 0.74 BACE1 (0.40) BACE1CTSD
SCHEMBL4532518 0.73 CNR2 (0.38) BACE1
SCHEMBL4518695 0.73 GRIA1 (0.40) CTSDLRRK2
SCHEMBL4528908 0.72 TRPA1 (0.44) BACE1
SCHEMBL4521790 0.71 BRD4 (0.46)

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 3629/4885CTSD 3781/4885IDO1 460/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 BACE1 3629/4885CTSD 3781/4885IDO1 460/4885

“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.