SCHEMBL5459699

SCHEMBL5459699

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.46
TTBK1 Q5TCY1 5/20 0.42
TTBK2 Q6IQ55 3/20 0.42
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CBFB Q13951 1/20 0.39
EPHX2 P34913 2/20 0.39
CDK8 P49336 2/20 0.38
TEK Q02763 1/20 0.38
JAK2 O60674 1/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
PDE10A Q9Y233 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
SCHEMBL5444955 0.92 KDR (0.48) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL5457064 0.88 TTBK1 (0.44) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL4164494 0.84 KDR (0.59) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL4172506 0.82 KDR (0.48) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL5449925 0.81 KDR (0.49) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL5450105 0.80 KDR (0.44) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL5447563 0.80 TTBK1 (0.44) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL14627484 0.79 KDR (0.45) KDRTTBK1TTBK2RAF1BRAF
SCHEMBL5452188 0.78 KDR (0.44) KDRRAF1BRAFCBFBTEK
SCHEMBL4164886 0.77 KDR (0.41) KDRRAF1BRAFCBFBTEK

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 KDR 2/4885TTBK1 226/4885TTBK2 113/4885

“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.