SCHEMBL5457064

SCHEMBL5457064

FC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4ccc5[nH]ccc5c4)cc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 5/20 0.44
TTBK2 Q6IQ55 3/20 0.44
RIPK1 Q13546 1/20 0.43
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
KDR P35968 2/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
EPHX2 P34913 2/20 0.39
CDK8 P49336 1/20 0.37
S1PR1 P21453 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CSNK1A1 P48729 2/20 0.36
CSNK1D P48730 2/20 0.36
PDE10A Q9Y233 2/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35

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
SCHEMBL5447563 0.92 TTBK1 (0.44) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL5459699 0.88 KDR (0.46) TTBK1TTBK2RAF1BRAFKDR
SCHEMBL4170603 0.84 KDR (0.52) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL4167598 0.82 CDK1 (0.46) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL5447951 0.81 RAF1 (0.43) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL5464256 0.81 RIPK1 (0.43) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL5459650 0.81 RAF1 (0.43) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL5451994 0.80 RIPK1 (0.42) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL5449703 0.80 RIPK1 (0.42) TTBK1TTBK2RIPK1RAF1BRAF
SCHEMBL5444955 0.80 KDR (0.48) TTBK1TTBK2RAF1BRAFKDR

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-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
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 TTBK1 226/4885TTBK2 113/4885RIPK1 1867/4885

“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.