SCHEMBL6468667

SCHEMBL6468667

CCOc1cccc2c(OC(=O)C(F)(F)F)nc(Nc3nc(C)c4cc(OC)c(OC)cc4n3)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.38
ADORA2B P29275 1/20 0.37
PDE10A Q9Y233 2/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
CTSG P08311 1/20 0.36
KLK7 P49862 1/20 0.36
KLK14 Q9P0G3 1/20 0.36
KLK5 Q9Y337 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
AURKA O14965 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL6468661 0.88 BRAF (0.39) RAF1BRAF
SCHEMBL6467193 0.88 ABCG2 (0.40) TP53MAPTKMT2AMEN1ABCG2
SCHEMBL6466280 0.87 KMT2A (0.37) TP53MAPTKMT2AMEN1ABCG2
SCHEMBL6468599 0.86 ADORA2A (0.37) TP53MAPTKMT2AMEN1ABCG2
Trifluoroacetic Acid SCHEMBL6468665 0.85 KMT2A (0.40) TP53MAPTKMT2AMEN1ABCG2
SCHEMBL6469862 0.85 KMT2A (0.35) MAPTKMT2AABCG2POLBGAA
SCHEMBL6466281 0.83 ABCG2 (0.39) TP53MAPTKMT2AMEN1ABCG2
SCHEMBL6468647 0.83 ABCG2 (0.38) MAPTKMT2AMEN1ABCG2POLB
SCHEMBL6470336 0.83 ABCG2 (0.42) TP53MAPTKMT2AMEN1ABCG2
SCHEMBL6467174 0.82 ABCG2 (0.40) TP53MAPTKMT2AMEN1ABCG2

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 3 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
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 TP53 1339/4885MAPT 3552/4885KMT2A 2156/4885

“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.