SCHEMBL5857121

SCHEMBL5857121

Cn1c(N)c(C#N)c2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 4/20 0.56
PFKFB2 O60825 1/20 0.49
NSD2 O96028 1/20 0.49
PFKFB1 P16118 1/20 0.49
PFKFB3 Q16875 1/20 0.49
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL5857151 0.84 AS3MT (0.65) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL9381587 0.76 EGFR (0.62) AS3MTALDH1A1LMNAKDM4EMEN1
SCHEMBL5857105 0.75 AS3MT (0.58) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL23410148 0.73 WEE1 (0.39) BCHEACHEALOX5PTGS1PTGS2
SCHEMBL11808516 0.72 BCHE (0.67) BCHEACHEALOX5PTGS1PTGS2
SCHEMBL5857217 0.71 AS3MT (0.62) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL3874806 0.70 BCHE (0.56) BCHEACHEALOX5PTGS1PTGS2
SCHEMBL5857180 0.70 AS3MT (1.00) AS3MTPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL23887209 0.70 KDM4E (0.40) AS3MTALDH1A1LMNAKDM4EMEN1
SCHEMBL30337760 0.70 KDM4E (0.40) AS3MTALDH1A1LMNAKDM4EMEN1

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-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
CN-1431999-A Indole derivatives with vascular damagine activity ASTRAZENECA AB (SE) 2003-07-23 CN 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 2271/4885PFKFB2 3883/4885NSD2 969/4885

“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.