SCHEMBL5118372

SCHEMBL5118372

[O-][n+]1nc(Nc2cccnc2)[n+]([O-])c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALPL P05186 3/20 0.38
KCNMA1 Q12791 1/20 0.38
GLA P06280 1/20 0.38
CYP11B2 P19099 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.37
CYP11B1 P15538 1/20 0.36
LMNA P02545 1/20 0.36
CYP19A1 P11511 1/20 0.36
GRIK1 P39086 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL14078765 0.88 KMT2A (0.39) ALDH1A1MAPTMEN1KMT2AALPL
SCHEMBL5120348 0.84 KMT2A (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4590229 0.83 NPC1 (0.40) MAPTMEN1KMT2AALPLCYP11B2
SCHEMBL14078720 0.78 ROCK2 (0.36) ALDH1A1MAPTALPLNPC1RAB9A
SCHEMBL5116913 0.78 CYP19A1 (0.43) ALDH1A1MAPTMEN1KMT2AALPL
SCHEMBL5120550 0.76 ABL1 (0.39) ALDH1A1MAPTCYP11B2NPC1RAB9A
SCHEMBL14078722 0.76 CHRNB2 (0.47) ALDH1A1MAPTALPLNPC1RAB9A
SCHEMBL14078757 0.75 CHRNB2 (0.46) ALDH1A1NPC1RAB9A
SCHEMBL14078748 0.71 NPC1 (0.41) MAPTMEN1KMT2AALPLNPC1
SCHEMBL6426203 0.69 CA12 (0.40) ALDH1A1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 US claimed
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP claimed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 WO claimed

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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 ALDH1A1 3402/4885MAPT 3462/4885MEN1 3722/4885

“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.