SCHEMBL6466281

SCHEMBL6466281

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cccc(OC)c4n3)nc(CF)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.39
TP53 P04637 4/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA2A P29274 4/20 0.36
PDE5A O76074 2/20 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
SCHEMBL6469226 0.88 ABCG2 (0.40) ABCG2TP53MAPTPOLBRAD52
Trifluoroacetic Acid SCHEMBL6466277 0.85 ABCG2 (0.40) ABCG2TP53MAPTPOLBRAD52
SCHEMBL6468667 0.83 TP53 (0.40) ABCG2TP53MAPTPOLBMEN1
SCHEMBL6466280 0.82 KMT2A (0.37) ABCG2TP53MAPTPOLBRAD52
SCHEMBL6468661 0.82 BRAF (0.39) ADORA2A
SCHEMBL6470324 0.82 TP53 (0.42) ABCG2TP53MAPTPOLBRAD52
SCHEMBL6468599 0.81 ADORA2A (0.37) ABCG2TP53MAPTPOLBRAD52
SCHEMBL6467193 0.81 ABCG2 (0.40) ABCG2TP53MAPTPOLBRAD52
SCHEMBL6469862 0.80 KMT2A (0.35) ABCG2MAPTPOLBKMT2AADORA2A
SCHEMBL6471223 0.79 MTNR1A (0.40) TP53MAPTPOLBRAD52MEN1

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 2 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 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 1526/4885TP53 1339/4885MAPT 3552/4885

“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.