SCHEMBL824632

SCHEMBL824632

[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(-c2ccccc2)nn(-c2ccccn2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLK4 O00444 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
MAP4K4 O95819 1/20 0.32
INSR P06213 1/20 0.32
ROS1 P08922 1/20 0.32
PIM1 P11309 1/20 0.32
PHKG2 P15735 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
SCHEMBL824593 0.85 MAPT (0.56) MAPTIRAK4NPC1TP53HPGD
SCHEMBL824570 0.81 MAPT (0.50) MAPTIRAK4NPC1TP53HPGD
SCHEMBL824869 0.81 MAPT (0.53) MAPTIRAK4NPC1TP53HPGD
SCHEMBL824630 0.80 MAPT (0.49) MAPTNPC1TP53HPGDRAB9A
SCHEMBL824561 0.80 MAPT (0.49) MAPTNPC1TP53HPGDRAB9A
SCHEMBL824873 0.78 MAPT (0.49) MAPTNPC1TP53HPGDRAB9A
SCHEMBL10194371 0.76 MAPT (0.45) MAPTNPC1TP53HPGDRAB9A
SCHEMBL10116104 0.76 RAB9A (0.47) MAPTIRAK4NPC1TP53HPGD
SCHEMBL10194374 0.76 MAPT (0.45) MAPTNPC1TP53HPGDRAB9A
SCHEMBL12052281 0.74 MAPT (0.34) MAPTIRAK4NPC1TP53HPGD

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
US-8142519-B2 Azo pigment, and pigment dispersion, coloring composition and ink composition for inkjet recording containing the same FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20100258036-A1 AZO PIGMENT, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK COMPOSITION FOR INKJET RECORDING CONTAINING THE SAME FUJIFILM CORPORATION (JP) 2010-10-14 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-20100258036-A1 AZO PIGMENT, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK COMPOSITION FOR INKJET RECORDING CONTAINING THE SAME WNT1, CYP1A1, CYP1B1 MAPT 372/4885IRAK4 2631/4885NPC1 2980/4885

“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.