SCHEMBL5451994

SCHEMBL5451994

FC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4ccc5c(c4)OCCO5)cc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
TTBK1 Q5TCY1 3/20 0.37
TTBK2 Q6IQ55 2/20 0.37
SYK P43405 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGES O14684 1/20 0.36
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
MAPT P10636 1/20 0.35
PDE10A Q9Y233 2/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
HDAC11 Q96DB2 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL5449703 0.94 RIPK1 (0.42) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5455201 0.85 RIPK1 (0.40) RIPK1RAF1BRAFTRPV1KMT2A
SCHEMBL5456245 0.84 MTNR1A (0.40) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5450105 0.83 KDR (0.44) RAF1BRAFKDRTTBK1TTBK2
SCHEMBL4170603 0.83 KDR (0.52) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5447563 0.82 TTBK1 (0.44) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5464256 0.82 RIPK1 (0.43) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5447951 0.82 RAF1 (0.43) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5457064 0.80 TTBK1 (0.44) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5459650 0.80 RAF1 (0.43) RIPK1RAF1BRAFKDRTTBK1

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
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US disclosed
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 RIPK1 1867/4885RAF1 17/4885BRAF 22/4885

“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.