SCHEMBL5565323

SCHEMBL5565323

COc1cc2nc(C)nc(Nc3ccc([N+](=O)[O-])cc3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.69
ABCB1 P08183 1/20 0.58
ABCC1 P33527 1/20 0.58
FBP1 P09467 1/20 0.58
SLC2A1 P11166 1/20 0.55
EGFR P00533 8/20 0.53
KDR P35968 7/20 0.52

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
SCHEMBL5568019 0.87 ABCG2 (0.80) ABCG2ABCB1FBP1EGFR
SCHEMBL13234665 0.87 EGFR (0.70) ABCG2ABCB1ABCC1SLC2A1EGFR
SCHEMBL2257647 0.85 ABCG2 (0.74) ABCG2ABCB1ABCC1
SCHEMBL5473767 0.82 ABCG2 (1.00) ABCG2EGFRKDR
Hydrochloric Acid SCHEMBL5478012 0.81 ABCG2 (0.98) ABCG2EGFRKDR
SCHEMBL12069892 0.81 FBP1 (0.74) ABCG2FBP1SLC2A1EGFRKDR
SCHEMBL2257566 0.78 ABCG2 (0.71) ABCG2EGFR
SCHEMBL372022 0.77 KDR (0.50) ABCG2KDR
Hydrochloric Acid SCHEMBL8934067 0.76 EGFR (0.67) ABCG2FBP1SLC2A1EGFRKDR
Hydrochloric Acid SCHEMBL8809094 0.75 FBP1 (0.60) ABCG2FBP1SLC2A1EGFRKDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP claimed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO claimed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US disclosed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP disclosed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 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 (1 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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT ABCG2 311/4885ABCB1 179/4885ABCC1 877/4885

“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.