SCHEMBL6468688

SCHEMBL6468688

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(N(C)C)cc(C)c4n3)nc(C)c2cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
MAPT P10636 6/20 0.33
TP53 P04637 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAD52 P43351 3/20 0.33
POLB P06746 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC2A1 P11166 1/20 0.32
WHR1 P49842 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
CSF1R P07333 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
UBE2N P61088 1/20 0.32
MITF O75030 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6469547 0.89 MAPT (0.38) MAPTTP53MEN1KMT2ARAD52
SCHEMBL6525054 0.88 TDP2 (0.42) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL6469602 0.88 MAPT (0.38) MAPTTP53MEN1KMT2ARAD52
SCHEMBL6466111 0.86 ABCG2 (0.41) MAPTTP53MEN1KMT2ARAD52
Trifluoroacetic Acid SCHEMBL6468683 0.85 WHR1 (0.38) KDM1AMAPTTP53MEN1KMT2A
SCHEMBL6467851 0.83 MAPT (0.36) MAPTTP53MEN1KMT2ARAD52
SCHEMBL6466134 0.81 KDM1A (0.41) KDM1AMAPTTP53MEN1KMT2A
SCHEMBL6469501 0.81 ABCG2 (0.38) MAPTTP53MEN1KMT2ARAD52
SCHEMBL6467334 0.81 ABCG2 (0.39) MAPTTP53MEN1KMT2ARAD52
SCHEMBL6467193 0.80 ABCG2 (0.40) MAPTTP53MEN1KMT2ARAD52

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 KDM1A 3087/4885MAPT 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.