SCHEMBL5857288

SCHEMBL5857288

N#Cc1c(N)[nH]c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 11/20 1.00
PFKFB3 Q16875 11/20 1.00
PFKFB1 P16118 12/20 0.77
AS3MT Q9HBK9 8/20 0.71
NSD2 O96028 6/20 0.71
DOT1L Q8TEK3 2/20 0.60
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
IL18 Q14116 1/20 0.42
TNKS2 Q9H2K2 1/20 0.40
MMP2 P08253 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
SCHEMBL5857153 0.87 PFKFB1 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857144 0.83 PFKFB1 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857150 0.83 PFKFB1 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857191 0.83 PFKFB1 (0.78) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857186 0.83 PFKFB1 (0.78) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857954 0.81 PFKFB2 (0.67) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857223 0.80 PFKFB1 (0.79) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857229 0.80 PFKFB1 (0.79) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5858621 0.80 PFKFB1 (0.79) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL21856775 0.79 PFKFB1 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2

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 PFKFB2 3883/4885PFKFB3 3531/4885PFKFB1 3485/4885

“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.