SCHEMBL408713

SCHEMBL408713

O=C(O)c1cn(-c2ccccc2F)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
DGAT1 O75907 11/20 0.42
HSP90AA1 P07900 1/20 0.40
MYC P01106 1/20 0.39
TTR P02766 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL408203 0.86 DGAT1 (0.54) DGAT1MYC
SCHEMBL408728 0.84 DGAT1 (0.47) NOTUMDGAT1MYCADORA3
SCHEMBL408668 0.84 DGAT1 (0.43) NOTUMDGAT1MYC
SCHEMBL408273 0.82 DGAT1 (0.54) DGAT1
SCHEMBL408670 0.81 DGAT1 (0.44) DGAT1
SCHEMBL407225 0.81 DGAT1 (0.48) DGAT1
SCHEMBL1803916 0.79 NOTUM (0.52) NOTUMHSP90AA1MYCADORA3
SCHEMBL408204 0.78 DGAT1 (0.41) NOTUMDGAT1MYC
SCHEMBL1804767 0.77 NOTUM (0.43) NOTUMHSP90AA1ADORA3
SCHEMBL408898 0.77 DGAT1 (0.48) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NOTUM 255/4885DGAT1 2/4885HSP90AA1 716/4885

“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.