SCHEMBL6674860

SCHEMBL6674860

COc1ccc2nc(NCCN3CCOCC3)n[n+]([O-])c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.48
MTOR P42345 2/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
USP2 O75604 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ADRA1B P35368 1/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL6674324 0.93 PIK3CA (0.48) PIK3CAMTORCYP1A2CYP3A4CYP2D6
SCHEMBL6676209 0.90 KMT5A (0.44) ALDH1A1HSD17B10HPGDPOLBNPSR1
SCHEMBL6679149 0.82 TSHR (0.55) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL6674637 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTHPGDRAB9A
SCHEMBL6674354 0.82 ACP1 (0.43) ALDH1A1HSD17B10HPGDPOLBNPSR1
SCHEMBL6674061 0.82 MEN1 (0.43) PIK3CAMTORCYP1A2CYP3A4CYP2D6
SCHEMBL6677381 0.81 APP (0.48) PIK3CAMTORCYP1A2CYP3A4CYP2D6
SCHEMBL6679544 0.78 MEN1 (0.42) PIK3CAMTORCYP3A4CYP2D6HSD17B10
SCHEMBL6675831 0.78 GRK6 (0.43) HSD17B10HPGDRAB9APOLBTSHR
SCHEMBL2250349 0.78 USP2 (0.42) CYP3A4USP2ALDH1A1HSD17B10HPGD

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
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US 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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 PIK3CA 2344/4885MTOR 3539/4885CYP1A2 58/4885

“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.