SCHEMBL4524730

SCHEMBL4524730

CC(C)c1cccc(-c2ccc3c(c2)N=C(N)N(C)C3N)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
PTPN5 P54829 2/20 0.34
CTSD P07339 1/20 0.33
JAK2 O60674 1/20 0.32
PFKFB3 Q16875 1/20 0.31
ADK P55263 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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) CTSDJAK2
SCHEMBL4532717 0.84 CTSD (0.43) CTSD
SCHEMBL4532429 0.80 BACE1 (0.40) CTSD
SCHEMBL4533462 0.79 SRC (0.38) ABL1SRCCTSD
SCHEMBL4524788 0.77 BACE1 (0.37) CTSD
SCHEMBL4526176 0.76 SRC (0.33) SRCCTSDJAK2
SCHEMBL4524953 0.74 BACE1 (0.40) CTSDJAK2
SCHEMBL4529247 0.74 HTR2A (0.30)
SCHEMBL4532518 0.73 CNR2 (0.38)
SCHEMBL4518695 0.73 GRIA1 (0.40) ABL1SRCCTSD

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 RXRA 4053/4885RXRB 3014/4885RXRG 3733/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 RXRA 4053/4885RXRB 3014/4885RXRG 3733/4885

“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.