SCHEMBL6468699

SCHEMBL6468699

CCOc1cccc2nc(Nc3nc(C)c4cc(OC)cc(OC)c4n3)nc(OC(=O)C(F)(F)F)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.35
MAPT P10636 5/20 0.33
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
PSMD14 O00487 1/20 0.33
APAF1 O14727 1/20 0.33
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PTK2B Q14289 1/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6467078 0.94 KMT2A (0.36) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6470071 0.89 KMT2A (0.33) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6468652 0.89 MAPT (0.36) AURKAMAPTKMT2AKDM4EMEN1
Trifluoroacetic Acid SCHEMBL6468695 0.86 AURKA (0.38) AURKAMAPTKMT2AKDM4EMEN1
SCHEMBL6468658 0.84 KMT2A (0.36) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6470579 0.83 TDP2 (0.44) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6470462 0.83 NPSR1 (0.34) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6468667 0.82 TP53 (0.40) AURKAMAPTKMT2AMEN1TP53
SCHEMBL6470556 0.81 POLB (0.42) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6469779 0.81 KMT2A (0.32) KMT2AKDM4EMEN1SMN1; SMN2NPSR1

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 AURKA 1070/4885MAPT 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.