Sugi Predict

Sugi Predict / Compounds / SCHEMBL5857191

SCHEMBL5857191

SCHEMBL5857191

C[C@H](N)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PFKFB1 P16118 10/20 0.78
▸ PFKFB2 O60825 9/20 0.78
▸ PFKFB3 Q16875 9/20 0.78
▸ AS3MT Q9HBK9 8/20 0.78
▸ NSD2 O96028 6/20 0.78
▸ DOT1L Q8TEK3 2/20 0.44
▸ XIAP P98170 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL5857186 1.00 PFKFB1 (0.78) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5857150 0.88 PFKFB1 (1.00) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5857144 0.88 PFKFB1 (1.00) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5857153 0.87 PFKFB1 (1.00) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5857223 0.84 PFKFB1 (0.79) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5858621 0.84 PFKFB1 (0.79) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5857229 0.84 PFKFB1 (0.79) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5857288 0.83 PFKFB2 (1.00) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5858449 0.82 PFKFB1 (0.72) PFKFB1PFKFB2PFKFB3AS3MTNSD2
SCHEMBL5858444 0.82 PFKFB1 (0.72) PFKFB1PFKFB2PFKFB3AS3MTNSD2

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 8 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 claimed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 — — US claimed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 — — EP claimed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 — — WO claimed
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 PFKFB1 3485/4885PFKFB2 3883/4885PFKFB3 3531/4885

“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.