SCHEMBL5120348

SCHEMBL5120348

[O-][n+]1nc(Nc2cccnc2)[n+]([O-])c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
RAD52 P43351 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
PKM P14618 1/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
KIF11 P52732 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4590229 0.85 NPC1 (0.40) KMT2ARAD52KDRNPC1RAB9A
SCHEMBL5118372 0.84 ALDH1A1 (0.39) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL5120550 0.80 ABL1 (0.39) NPC1RAB9APKMMAPTL3MBTL1
SCHEMBL14078720 0.77 ROCK2 (0.36) NPC1RAB9APKMMAPTHTT
SCHEMBL5107999 0.75 KMT2A (0.49) KMT2ARAD52ADRA2AADRA2BADRA2C
SCHEMBL14078722 0.75 CHRNB2 (0.47) NPC1RAB9APKMMAPTNAMPT
SCHEMBL14078757 0.74 CHRNB2 (0.46) NPC1RAB9AHTTSMN1; SMN2
SCHEMBL27573426 0.74 LMNA (0.50) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL14078685 0.73 KMT2A (0.40) KMT2ARAD52ADRA2AADRA2BADRA2C
SCHEMBL5118835 0.72 ABCG2 (0.40) CA12CA1CA2CA9KDR

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-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
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 KMT2A 960/4885RAD52 2460/4885CA12 1880/4885

“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.