SCHEMBL5108355

SCHEMBL5108355

O=S(=O)(c1ccc(Nc2nnc3ccccc3n2)cc1)N1CCCNCC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.63
CA12 O43570 4/20 0.63
CA2 P00918 4/20 0.63
SRC P12931 4/20 0.60
IKBKB O14920 10/20 0.53
CHUK O15111 10/20 0.53
CA9 Q16790 1/20 0.49
NAMPT P43490 1/20 0.48

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
SCHEMBL5116493 0.83 CA12 (0.52) ABL1CA12CA2SRCIKBKB
SCHEMBL5106125 0.75 KDM1A (0.62)
SCHEMBL4265736 0.75 SRC (1.00) ABL1SRC
SCHEMBL6973412 0.74 ALDH1A1 (0.60)
SCHEMBL4275797 0.73 SRC (1.00) ABL1SRC
Hydrochloric Acid SCHEMBL4274340 0.72 SRC (0.98) ABL1SRC
SCHEMBL5120446 0.72 CA12 (0.46) ABL1CA12CA2SRCIKBKB
SCHEMBL28897265 0.71 ALDH1A1 (0.64)
SCHEMBL27717443 0.71 IKBKB (0.58) ABL1CA12CA2SRCIKBKB
SCHEMBL5436724 0.70 IKBKB (0.57) ABL1CA12CA2IKBKBCHUK

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 5 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
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 ABL1 140/4885CA12 1880/4885CA2 600/4885

“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.