SCHEMBL5459650

SCHEMBL5459650

FC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4ccc5nsnc5c4)cc3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.43
BRAF P15056 4/20 0.43
KDR P35968 7/20 0.43
RIPK1 Q13546 1/20 0.43
CSNK1A1 P48729 2/20 0.39
CSNK1D P48730 2/20 0.39
PDE10A Q9Y233 2/20 0.39
GSK3B P49841 1/20 0.39
CSNK1G2 P78368 1/20 0.39
TEK Q02763 6/20 0.38
TTBK1 Q5TCY1 2/20 0.38
TTBK2 Q6IQ55 2/20 0.38
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 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
SCHEMBL5447181 0.89 RAF1 (0.44) RAF1BRAFKDRCSNK1A1CSNK1D
SCHEMBL5449925 0.88 KDR (0.49) RAF1BRAFKDRCSNK1A1CSNK1D
SCHEMBL5447951 0.86 RAF1 (0.43) RAF1BRAFKDRRIPK1CSNK1A1
SCHEMBL5453181 0.85 RIPK1 (0.40) RAF1BRAFKDRRIPK1CSNK1A1
SCHEMBL5444136 0.85 RIPK1 (0.40) RAF1BRAFKDRRIPK1CSNK1D
SCHEMBL14595257 0.84 RIPK1 (0.43) RAF1BRAFKDRRIPK1CSNK1A1
SCHEMBL4170603 0.83 KDR (0.52) RAF1BRAFKDRRIPK1CSNK1A1
SCHEMBL5454824 0.83 RIPK1 (0.42) RAF1BRAFKDRRIPK1CSNK1A1
SCHEMBL5447563 0.81 TTBK1 (0.44) RAF1BRAFKDRRIPK1CSNK1A1
SCHEMBL5457064 0.81 TTBK1 (0.44) RAF1BRAFKDRRIPK1CSNK1A1

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 2 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
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US 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-20070021456-A1 Aminobenzimidazole derivatives TIE1, KDR, FLT1 RAF1 17/4885BRAF 22/4885KDR 2/4885

“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.