SCHEMBL5568019

SCHEMBL5568019

COc1cc2nc(C)nc(Nc3cccc([N+](=O)[O-])c3)c2cc1OC

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 16/20 0.80
FBP1 P09467 1/20 0.67
ABCB1 P08183 1/20 0.61
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
RAF1 P04049 1/20 0.53
BRAF P15056 1/20 0.53
PDE5A O76074 1/20 0.51

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
SCHEMBL5565323 0.87 ABCG2 (0.69) ABCG2FBP1ABCB1EGFR
SCHEMBL2099212 0.83 ABCG2 (1.00) ABCG2FBP1EGFRERBB2RAF1
SCHEMBL31229701 0.82 ABCG2 (0.72) ABCG2ABCB1PDE5A
Hydrochloric Acid SCHEMBL5468096 0.82 ABCG2 (0.98) ABCG2FBP1EGFRERBB2RAF1
SCHEMBL2257647 0.82 ABCG2 (0.74) ABCG2ABCB1
SCHEMBL12069892 0.81 FBP1 (0.74) ABCG2FBP1EGFR
SCHEMBL5564585 0.80 FBP1 (1.00) ABCG2FBP1ABCB1EGFRERBB2
SCHEMBL5570060 0.80 FBP1 (0.74) ABCG2FBP1EGFRERBB2RAF1
SCHEMBL6522144 0.78 ABCG2 (0.68) ABCG2ABCB1EGFRERBB2RAF1
SCHEMBL2257566 0.77 ABCG2 (0.71) ABCG2EGFR

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 311/4885FBP1 1906/4885ABCB1 179/4885

“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.