SCHEMBL5857217

SCHEMBL5857217

Cn1c(N)c(C#N)c2cc(Oc3ccc(OP(=O)(O)O)cc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 10/20 0.62
PFKFB1 P16118 10/20 0.62
PFKFB2 O60825 9/20 0.62
PFKFB3 Q16875 9/20 0.62
NSD2 O96028 5/20 0.62
DOT1L Q8TEK3 2/20 0.48
GALR3 O60755 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
ACSL1 P33121 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL5857166 0.87 AS3MT (0.54) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5857151 0.84 AS3MT (0.65) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5857105 0.80 AS3MT (0.58) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5857816 0.78 AS3MT (0.55) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL21856686 0.77 PFKFB1 (1.00) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5858348 0.75 AS3MT (0.87) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5857216 0.74 PFKFB1 (0.64) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5857839 0.72 AS3MT (0.60) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5857121 0.71 AS3MT (0.56) AS3MTPFKFB1PFKFB2PFKFB3NSD2
SCHEMBL5857918 0.69 AS3MT (1.00) AS3MTPFKFB1PFKFB2PFKFB3NSD2

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-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 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-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA AS3MT 2271/4885PFKFB1 3485/4885PFKFB2 3883/4885

“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.