SCHEMBL5450107

SCHEMBL5450107

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.37
KDR P35968 2/20 0.36
PDE10A Q9Y233 3/20 0.35
CSNK1A1 P48729 2/20 0.34
CSNK1D P48730 2/20 0.34
PTGES O14684 10/20 0.34
ALOX5 P09917 2/20 0.33
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 1/20 0.33
TEK Q02763 1/20 0.32

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
SCHEMBL5449706 0.90 RIPK1 (0.39) KDRPDE10ACSNK1A1CSNK1DRAF1
SCHEMBL5459673 0.83 CYP1A2 (0.36) KDRPDE10ACSNK1A1CSNK1D
SCHEMBL5447120 0.80 PDE10A (0.44) KDRPDE10ACSNK1A1CSNK1D
SCHEMBL5444073 0.79 CSNK1A1 (0.41) KDRPDE10ACSNK1A1CSNK1DGSK3B
SCHEMBL4164494 0.74 KDR (0.59) CBFBKDRPDE10ACSNK1A1CSNK1D
SCHEMBL4172506 0.72 KDR (0.48) CBFBKDRPDE10ACSNK1A1CSNK1D
SCHEMBL5450105 0.71 KDR (0.44) CBFBKDRPDE10APTGESALOX5
SCHEMBL5459699 0.71 KDR (0.46) CBFBKDRPDE10ARAF1BRAF
SCHEMBL5444955 0.71 KDR (0.48) CBFBKDRPDE10ACSNK1A1CSNK1D
SCHEMBL4164886 0.70 KDR (0.41) CBFBKDRPDE10ACSNK1A1CSNK1D

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 CBFB 1061/4885KDR 2/4885PDE10A 4420/4885

“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.