SCHEMBL5449706

SCHEMBL5449706

FC(F)(F)c1cc(Br)c2nc(Nc3ccc(OC4=COC(Cc5ccccc5)O4)cc3)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
CSNK1A1 P48729 2/20 0.34
CSNK1D P48730 2/20 0.34
PDE10A Q9Y233 5/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 1/20 0.33
TEK Q02763 2/20 0.32
PIM1 P11309 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
TTBK1 Q5TCY1 2/20 0.31
TTBK2 Q6IQ55 2/20 0.31
KDR P35968 3/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL5450107 0.90 CBFB (0.37) CSNK1A1CSNK1DPDE10AGSK3BCSNK1G2
SCHEMBL5459673 0.83 CYP1A2 (0.36) CSNK1A1CSNK1DPDE10AKDR
SCHEMBL5447120 0.80 PDE10A (0.44) CSNK1A1CSNK1DPDE10APIM1KDR
SCHEMBL5444073 0.79 CSNK1A1 (0.41) RIPK1CSNK1A1CSNK1DPDE10AGSK3B
SCHEMBL5767192 0.75 RIPK1 (0.40) RIPK1CSNK1A1CSNK1DPDE10AGSK3B
SCHEMBL4170603 0.74 KDR (0.52) RIPK1CSNK1A1CSNK1DPDE10AGSK3B
SCHEMBL4167598 0.72 CDK1 (0.46) RIPK1CSNK1A1CSNK1DPDE10AGSK3B
SCHEMBL5447951 0.72 RAF1 (0.43) RIPK1CSNK1A1CSNK1DPDE10AGSK3B
SCHEMBL5449703 0.71 RIPK1 (0.42) RIPK1CSNK1A1CSNK1DPDE10AGSK3B
SCHEMBL5451994 0.71 RIPK1 (0.42) RIPK1CSNK1A1CSNK1DPDE10AGSK3B

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-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US claimed
EP-1656377-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2006-05-17 EP claimed
WO-2005019216-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-03 WO claimed

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-20070021456-A1 Aminobenzimidazole derivatives TIE1, KDR, FLT1 RIPK1 1867/4885CSNK1A1 609/4885CSNK1D 627/4885

“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.