SCHEMBL6467957

SCHEMBL6467957

COc1cc(OC)c2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(C)cc(C)c4n3)nc(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
TP53 P04637 1/20 0.39
STAT1 P42224 1/20 0.39
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.33
MAPT P10636 5/20 0.33
POLB P06746 3/20 0.33
NPSR1 Q6W5P4 1/20 0.31
LCK P06239 1/20 0.31
GAA P10253 4/20 0.31
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6465687 0.91 KMT2A (0.31) STAT3TP53STAT1POLBNPSR1
SCHEMBL6470556 0.88 POLB (0.42) TP53HSD17B10MAPK1MAPTPOLB
SCHEMBL6469779 0.88 KMT2A (0.32) POLBNPSR1GAAKDM4EKMT2A
SCHEMBL6467089 0.88 KMT2A (0.33) MAPK1MAPTNPSR1GAANPC1
SCHEMBL6469547 0.86 MAPT (0.38) STAT3TP53STAT1MAPK1MAPT
SCHEMBL6470120 0.84 STAT3 (0.36) STAT3TP53STAT1HSD17B10MAPK1
SCHEMBL6470462 0.84 NPSR1 (0.34) MAPTPOLBNPSR1LCKGAA
Trifluoroacetic Acid SCHEMBL6467955 0.84 STAT3 (0.39) STAT3TP53STAT1HSD17B10MAPK1
SCHEMBL6465607 0.84 STAT3 (0.35) STAT3TP53STAT1HSD17B10MAPK1
SCHEMBL6470356 0.84 POLB (0.33) TP53MAPK1MAPTPOLBNPSR1

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 STAT3 3341/4885TP53 1339/4885STAT1 1527/4885

“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.