SCHEMBL6468652

SCHEMBL6468652

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
G6PD P11413 1/20 0.36
MCL1 Q07820 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP2 O95551 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6467078 0.93 KMT2A (0.36) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6468699 0.89 AURKA (0.35) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL6470071 0.89 KMT2A (0.33) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6468658 0.87 KMT2A (0.36) MAPTGAAKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL6468650 0.86 KMT2A (0.38) MAPTGAAG6PDMCL1TAAR1
SCHEMBL6470462 0.86 NPSR1 (0.34) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL6470556 0.84 POLB (0.42) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL6470356 0.83 POLB (0.33) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL6470579 0.82 TDP2 (0.44) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6469121 0.82 KDM4E (0.39) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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 MAPT 3552/4885GAA 232/4885G6PD 220/4885

“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.