SCHEMBL6468658

SCHEMBL6468658

COc1cc(OC)c2nc(Nc3nc(O)c4c(OC(=O)C(F)(F)F)cccc4n3)nc(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JUND P17535 1/20 0.33
FOSB P53539 1/20 0.33
TDP2 O95551 1/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL6467073 0.91 KMT2A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6467078 0.89 KMT2A (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6468652 0.87 MAPT (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL6468650 0.87 KMT2A (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL6468695 0.87 AURKA (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL6470070 0.87 KMT2A (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6470071 0.84 KMT2A (0.33) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6468699 0.84 AURKA (0.35) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6468620 0.82 TDP2 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL6470578 0.81 TDP2 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1

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 KMT2A 2156/4885MEN1 4218/4885ALDH1A1 3154/4885

“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.