SCHEMBL4059593

SCHEMBL4059593

Fc1ccc(-c2nc3ncc(-c4ccco4)cc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.47
TBK1 Q9UHD2 2/20 0.47
FLT3 P36888 1/20 0.44
AURKA O14965 7/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCD O00767 1/20 0.42
KIF11 P52732 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
GSK3B P49841 1/20 0.40
MAPK14 Q16539 1/20 0.40
P2RY6 Q15077 1/20 0.40
GUSB P08236 1/20 0.40
MGAM O43451 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
SCHEMBL4062195 0.89 MGAM (0.45) IKBKETBK1AURKAPDE10APIK3R1
SCHEMBL4050957 0.88 IKBKE (0.49) IKBKETBK1AURKAKDM4ENPC1
SCHEMBL4055484 0.84 TBK1 (0.66) IKBKETBK1AURKAKDM4ENPC1
SCHEMBL4062911 0.84 IKBKE (0.48) IKBKETBK1AURKAKDM4ENPC1
SCHEMBL4053465 0.84 IKBKE (0.49) IKBKETBK1AURKAP2RY6
SCHEMBL4060354 0.83 SCD (0.48) IKBKETBK1NPC1RAB9ASCD
SCHEMBL4054859 0.82 TBK1 (0.54) IKBKETBK1AURKAKDM4ERAB9A
SCHEMBL4059633 0.81 HPGD (0.38) FLT3KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4050442 0.81 GUSB (0.46) IKBKETBK1AURKAKIF11GUSB
SCHEMBL4060508 0.81 PTGES (0.45) IKBKETBK1AURKAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B IKBKE 129/4885TBK1 1212/4885FLT3 144/4885

“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.