SCHEMBL4532365

SCHEMBL4532365

COc1cccc(OC)c1-c1ccc2c(N)nc(N)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 16/20 0.73
MAP4K4 O95819 1/20 0.56
DCPS Q96C86 1/20 0.54
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL8509933 0.84 DHFR (1.00) DHFRMAP4K4DCPSHSP90AA1
SCHEMBL4533676 0.84 DHFR (0.53) DHFRDCPSHSP90AA1HSP90AB1HRH4
SCHEMBL4510941 0.82 DHFR (0.64) DHFRMAP4K4DCPSHRH4
SCHEMBL3731337 0.78 SRC (0.68) DHFRDCPSHSP90AA1HSP90AB1
SCHEMBL4530856 0.78 MAP4K4 (0.68) DHFRMAP4K4DCPSHRH4
SCHEMBL4532538 0.78 DHFR (0.62) DHFRMAP4K4DCPSHRH4
SCHEMBL8513000 0.77 DHFR (1.00) DHFRHRH4
SCHEMBL4527908 0.76 PTPN1 (0.50) DHFRDCPSHSP90AA1HSP90AB1
SCHEMBL5489026 0.74 LCK (0.55) DHFRDCPSHSP90AA1HSP90AB1
SCHEMBL13888558 0.74 DHFR (0.93) DHFRMAP4K4DCPSHRH4

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 4 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 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 DHFR 2071/4885MAP4K4 639/4885DCPS 2920/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885MAP4K4 639/4885DCPS 2920/4885

“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.