SCHEMBL5111932

SCHEMBL5111932

Cc1cc(Nc2n[n+]([O-])c3ccccc3[n+]2[O-])n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.42
AURKB Q96GD4 8/20 0.42
ITK Q08881 1/20 0.40
GSK3B P49841 7/20 0.39
SRC P12931 5/20 0.39
GSK3A P49840 3/20 0.39
EIF2AK2 P19525 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
DHODH Q02127 1/20 0.39
IGF1R P08069 2/20 0.37
PAK4 O96013 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL5105982 0.77 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL5104805 0.76 AURKA (0.50) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL15008705 0.68 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL9820151 0.68 MEN1 (0.65) AURKAAURKBITKGSK3BSRC
SCHEMBL15009297 0.67 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL29683717 0.65 ITK (0.60) AURKAAURKBITKGSK3BSRC
SCHEMBL16534531 0.65 ITK (0.60) AURKAAURKBITKGSK3BSRC
SCHEMBL6365684 0.65 ATM (0.37) CA12CA1CA2CA9
SCHEMBL6371450 0.65 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL15024571 0.65 CA12 (0.41) CA12CA1CA2CA9

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 AURKA 196/4885AURKB 501/4885ITK 590/4885

“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.