SCHEMBL6087313

SCHEMBL6087313

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 1/20 0.61
PFKFB1 P16118 1/20 0.61
PFKFB3 Q16875 1/20 0.61
IMPDH2 P12268 2/20 0.46
IMPDH1 P20839 1/20 0.46
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
SLC6A4 P31645 6/20 0.39
XDH P47989 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 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
SCHEMBL6086627 0.87 PFKFB2 (0.59) PFKFB2PFKFB1PFKFB3IMPDH2IMPDH1
SCHEMBL2006656 0.82 IMPDH2 (0.56) PFKFB2PFKFB1PFKFB3IMPDH2IMPDH1
SCHEMBL6090436 0.80 IMPDH2 (0.70) PFKFB2PFKFB1PFKFB3IMPDH2MEN1
SCHEMBL1778261 0.78 GPR84 (0.57) PFKFB2PFKFB1PFKFB3IMPDH2IMPDH1
SCHEMBL6087078 0.77 PFKFB2 (0.50) PFKFB2PFKFB1PFKFB3IMPDH2IMPDH1
SCHEMBL21856775 0.77 PFKFB1 (1.00) PFKFB2PFKFB1PFKFB3IMPDH2MEN1
SCHEMBL2736715 0.75 PFKFB2 (0.50) PFKFB2PFKFB1PFKFB3IMPDH2IMPDH1
SCHEMBL19280740 0.74 CYP19A1 (0.54) MEN1KMT2AESR1ESR2
SCHEMBL30473827 0.74 CYP19A1 (0.54) MEN1KMT2AESR1ESR2
SCHEMBL5857843 0.73 IMPDH2 (0.81) IMPDH2IMPDH1MEN1KMT2ATRPM8

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-7125906-B2 Indole derivatives having anti-angiogenetic activity ASTRAZENECA AB (SE) 2006-10-24 US claimed
US-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization ASTRAZENECA AB (SE) 2005-07-21 US claimed
EP-1515716-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY Astrazeneca AB (SE) 2005-03-23 EP claimed
WO-2003082271-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY ASTRAZENECA AB (SE) 2003-10-09 WO claimed
US-7125906-B2 Indole derivatives having anti-angiogenetic activity ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization ASTRAZENECA AB (SE) 2005-07-21 US disclosed
EP-1515716-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY Astrazeneca AB (SE) 2005-03-23 EP disclosed
WO-2003082271-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY ASTRAZENECA AB (SE) 2003-10-09 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-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization FLT1, FLT4, VEGFA PFKFB2 1285/4885PFKFB1 799/4885PFKFB3 1228/4885

“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.