SCHEMBL5450105

SCHEMBL5450105

FC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4ccc5c(c4)OCO5)cc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
SYK P43405 1/20 0.42
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
BRS3 P32247 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
CBFB Q13951 1/20 0.38
PTGES O14684 3/20 0.37
TEK Q02763 1/20 0.37
ULK1 O75385 1/20 0.36
CHEK2 O96017 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAP2K4 P45985 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
SCHEMBL5449703 0.89 RIPK1 (0.42) KDRSYKRAF1BRAFALDH1A1
SCHEMBL5464243 0.84 PTGES (0.40) KDRRAF1BRAFBRS3CBFB
SCHEMBL5451994 0.83 RIPK1 (0.42) KDRSYKRAF1BRAFPTGES
SCHEMBL4164494 0.83 KDR (0.59) KDRRAF1BRAFCBFBPTGES
SCHEMBL5444955 0.82 KDR (0.48) KDRRAF1BRAFCBFBTEK
SCHEMBL5459699 0.80 KDR (0.46) KDRRAF1BRAFCBFBTEK
SCHEMBL5459667 0.80 SYK (0.44) KDRSYKALDH1A1MAPK1CHEK2
SCHEMBL5450095 0.80 KDR (0.44) KDRSYKRAF1BRAFPTGES
SCHEMBL5449925 0.80 KDR (0.49) KDRRAF1BRAFCBFBTEK
SCHEMBL14627484 0.79 KDR (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US 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 KDR 2/4885SYK 189/4885RAF1 17/4885

“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.