Sugi Predict

Sugi Predict / Compounds / SCHEMBL4533682

SCHEMBL4533682

SCHEMBL4533682

COc1cccc(OC)c1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.41
▸ HTR1A P08908 3/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ HSP90AA1 P07900 3/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ AR P10275 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ CACNG8 Q8WXS5 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL4527912 0.92 MAP4K1 (0.37) BACE1SYK
SCHEMBL4521237 0.89 DHFR (0.43) BACE1HTR7CTSDSMN1; SMN2DHFR
SCHEMBL4533462 0.84 SRC (0.38) HTR7CTSDGRIA1CACNG8
SCHEMBL4531646 0.83 PTPN11 (0.33) BACE1KDM1ASYK
SCHEMBL4528811 0.80 CTSD (0.44) BACE1HSP90AA1KDM1AMAOACTSD
SCHEMBL4529247 0.80 HTR2A (0.30) HTR2C
SCHEMBL4524038 0.78 CTSA (0.36) BACE1DHFR
SCHEMBL4526581 0.78 SCN9A (0.40) HTR2CSYK
SCHEMBL4524788 0.77 BACE1 (0.37) BACE1CTSDMAP4K4
SCHEMBL4535530 0.77 DRD1 (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 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 BACE1 3629/4885HTR1A 1201/4885HTR7 1851/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 BACE1 3629/4885HTR1A 1201/4885HTR7 1851/4885

“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.