SCHEMBL5449703

SCHEMBL5449703

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
SYK P43405 1/20 0.42
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDR P35968 1/20 0.38
TTBK1 Q5TCY1 3/20 0.37
TTBK2 Q6IQ55 2/20 0.37
CHEK2 O96017 1/20 0.36
DYRK2 Q92630 1/20 0.36
MAP2K4 P45985 1/20 0.36
ULK1 O75385 4/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 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
SCHEMBL5451994 0.94 RIPK1 (0.42) RIPK1SYKRAF1BRAFKDR
SCHEMBL5450105 0.89 KDR (0.44) SYKRAF1BRAFALDH1A1MAPK1
SCHEMBL5456234 0.84 RIPK1 (0.39) RIPK1RAF1BRAFKDRTTBK1
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) RIPK1RAF1BRAFDYRK1ADYRK1B
SCHEMBL5457064 0.80 TTBK1 (0.44) RIPK1RAF1BRAFKDRTTBK1
SCHEMBL5459667 0.80 SYK (0.44) SYKALDH1A1MAPK1DYRK1ADYRK1B
SCHEMBL5455201 0.80 RIPK1 (0.40) RIPK1RAF1BRAFALDH1A1DYRK1A

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 1867/4885SYK 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.