SCHEMBL5564585

SCHEMBL5564585

COc1cc2nc(C)nc(Nc3cccc(Br)c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 1.00
ABCG2 Q9UNQ0 6/20 0.78
EGFR P00533 10/20 0.76
ERBB2 P04626 2/20 0.68
GAK O14976 2/20 0.68
KDR P35968 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPK13 O15264 1/20 0.68
ABL1 P00519 1/20 0.68
CYP1A2 P05177 1/20 0.68
CDK1 P06493 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
MAPT P10636 1/20 0.68
CYP2C9 P11712 1/20 0.68
SRC P12931 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
EPHB2 P29323 1/20 0.68
CYP2C19 P33261 1/20 0.68

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
SCHEMBL27998800 0.86 ABCG2 (0.76) FBP1ABCG2EGFRERBB2GAK
SCHEMBL6668347 0.86 FBP1 (0.76) FBP1ABCG2EGFRERBB2GAK
SCHEMBL12069892 0.85 FBP1 (0.74) FBP1ABCG2EGFRKDREPHB2
SCHEMBL5570060 0.85 FBP1 (0.74) FBP1ABCG2EGFRERBB2KDR
Hydrochloric Acid SCHEMBL8809754 0.81 FBP1 (0.68) FBP1ABCG2EGFRKDRSRC
SCHEMBL29444884 0.81 EGFR (1.00) FBP1ABCG2EGFRERBB2GAK
SCHEMBL9423 0.81 EGFR (1.00) FBP1ABCG2EGFRERBB2GAK
SCHEMBL30363011 0.81 EGFR (1.00) FBP1ABCG2EGFRERBB2GAK
SCHEMBL5568019 0.80 ABCG2 (0.80) FBP1ABCG2EGFRERBB2ABCB1
Hydrochloric Acid SCHEMBL30362813 0.80 EGFR (1.00) FBP1ABCG2EGFRERBB2GAK

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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US 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 FBP1 1906/4885ABCG2 311/4885EGFR 1445/4885

“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.