SCHEMBL4058112

SCHEMBL4058112

CN(C)c1cccc(-c2nc3ncc(-c4ccco4)cc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.58
KIF11 P52732 1/20 0.49
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
PDE10A Q9Y233 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
NOTUM Q6P988 1/20 0.37
GUSB P08236 1/20 0.37

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
SCHEMBL4060508 0.86 PTGES (0.45) AURKAIKBKETBK1PDE10ASMPD3
SCHEMBL4062195 0.85 MGAM (0.45) AURKAIKBKETBK1PDE10AGUSB
SCHEMBL4050957 0.84 IKBKE (0.49) AURKAKIF11IKBKETBK1PDE10A
SCHEMBL4055195 0.84 AURKA (0.60) AURKAIKBKETBK1SMPD3
SCHEMBL4050442 0.84 GUSB (0.46) AURKAKIF11IKBKETBK1GUSB
SCHEMBL4061980 0.83 AURKA (0.42) AURKAKIF11IKBKETBK1PDE10A
SCHEMBL13608558 0.83 AURKA (0.46) AURKAPDE10ANOTUM
SCHEMBL4060428 0.83 AURKA (0.66) AURKAKIF11IKBKETBK1GUSB
SCHEMBL4054953 0.82 FGFR1 (0.49) AURKAIKBKETBK1SMPD3
SCHEMBL4059279 0.81 TBK1 (0.50) AURKAIKBKETBK1

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 247/4885KIF11 1936/4885IKBKE 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.