SCHEMBL5857150

SCHEMBL5857150

N#Cc1c(N)[nH]c2ccc(Oc3ccc(NC(=O)[C@@H](N)CO)cc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PFKFB1 P16118 10/20 1.00
AS3MT Q9HBK9 9/20 1.00
PFKFB2 O60825 9/20 1.00
PFKFB3 Q16875 9/20 1.00
NSD2 O96028 6/20 1.00
DOT1L Q8TEK3 2/20 0.43
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL5857144 1.00 PFKFB1 (1.00) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5857229 0.89 PFKFB1 (0.79) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5857223 0.89 PFKFB1 (0.79) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5858621 0.89 PFKFB1 (0.79) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5857186 0.88 PFKFB1 (0.78) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5857191 0.88 PFKFB1 (0.78) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5858444 0.84 PFKFB1 (0.72) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5858449 0.84 PFKFB1 (0.72) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5857288 0.83 PFKFB2 (1.00) PFKFB1AS3MTPFKFB2PFKFB3NSD2
SCHEMBL5857153 0.83 PFKFB1 (1.00) PFKFB1AS3MTPFKFB2PFKFB3NSD2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO claimed
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
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
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 3485/4885AS3MT 2271/4885PFKFB2 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.