SCHEMBL5116816

SCHEMBL5116816

[O-][n+]1nc(Cl)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.36
PIK3CA P42336 2/20 0.36
DHFR P00374 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 7/20 0.35
MAPT P10636 3/20 0.35
BACE1 P56817 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5112829 0.81 ESR2 (0.39) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL5105475 0.81 DHFR (0.50) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL6690674 0.78 NR4A2 (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL29864580 0.78 TDP1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL5066814 0.78 TDP1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL782083 0.68 ALDH1A1 (0.37) ALDH1A1KMT2AHPGDMEN1SMN1; SMN2
SCHEMBL5119369 0.68 PIK3CD (0.44) PIK3CADHFRPI4KAPI4KB
SCHEMBL11743519 0.67 PIK3CA (0.40) ALDH1A1L3MBTL1GAAPIK3CADHFR
SCHEMBL17412365 0.67 DHFR (0.51) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL30875838 0.66 MAPT (0.35) MAPT

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 disclosed
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP disclosed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 ALDH1A1 3402/4885L3MBTL1 3406/4885KMT2A 960/4885

“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.