SCHEMBL6469501

SCHEMBL6469501

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4c(OC)ccc(OC)c4n3)nc(C)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
MAPT P10636 8/20 0.38
TP53 P04637 7/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 4/20 0.38
MEN1 O00255 3/20 0.38
BLM P54132 2/20 0.38
MITF O75030 1/20 0.38
SLC2A1 P11166 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RAD52 P43351 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
WHR1 P49842 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL6470336 0.89 ABCG2 (0.42) ABCG2MAPTTP53KMT2APOLB
SCHEMBL6470462 0.86 NPSR1 (0.34) MAPTKMT2APOLBMEN1NPSR1
SCHEMBL6467193 0.84 ABCG2 (0.40) ABCG2MAPTTP53KMT2APOLB
SCHEMBL6469547 0.84 MAPT (0.38) ABCG2MAPTTP53KMT2APOLB
Trifluoroacetic Acid SCHEMBL6469497 0.83 WHR1 (0.40) ABCG2MAPTTP53KMT2APOLB
SCHEMBL6469411 0.83 KMT2A (0.41) MAPTTP53KMT2APOLBMEN1
SCHEMBL6467334 0.83 ABCG2 (0.39) ABCG2MAPTTP53KMT2APOLB
SCHEMBL6469759 0.82 KMT2A (0.37) ABCG2MAPTTP53KMT2APOLB
SCHEMBL6469602 0.82 MAPT (0.38) ABCG2MAPTTP53KMT2APOLB
SCHEMBL6467196 0.82 ABCG2 (0.38) ABCG2MAPTTP53KMT2APOLB

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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB ABCG2 1526/4885MAPT 3552/4885TP53 1339/4885

“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.