SCHEMBL4061980

SCHEMBL4061980

CCc1cccc(-c2nc3ncc(-c4ccco4)cc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.42
PRMT6 Q96LA8 1/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
PDPK1 O15530 1/20 0.38
PDE10A Q9Y233 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4054953 0.86 FGFR1 (0.49) AURKAIKBKETBK1SMPD3MAPT
SCHEMBL4060508 0.85 PTGES (0.45) AURKAIKBKETBK1PDE10ASMPD3
SCHEMBL4060694 0.84 AURKA (0.45) AURKAIKBKETBK1MAPTKDM4E
SCHEMBL4062195 0.84 MGAM (0.45) AURKAIKBKETBK1PDE10AGUSB
SCHEMBL4050957 0.83 IKBKE (0.49) AURKAIKBKETBK1PDE10APOLB
SCHEMBL4058112 0.83 AURKA (0.58) AURKAIKBKETBK1PDE10ASMPD3
SCHEMBL4055195 0.83 AURKA (0.60) AURKAIKBKETBK1SMPD3KDM4E
SCHEMBL4058710 0.83 TBK1 (0.45) AURKAIKBKETBK1MAPTKDM4E
SCHEMBL4050442 0.83 GUSB (0.46) AURKAIKBKETBK1IDO1GUSB
SCHEMBL13608340 0.82 PRMT6 (0.44) PRMT6PDPK1PDE10AMAPTPOLB

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 AURKA 247/4885PRMT6 671/4885IKBKE 129/4885

“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.