SCHEMBL5452154

SCHEMBL5452154

CCOC(=O)c1cc2cc(Oc3ccc(Nc4nc5c(Br)cc(C(F)(F)F)cc5[nH]4)cc3)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
P2RX3 P56373 2/20 0.37
TEK Q02763 2/20 0.37
PTGES O14684 2/20 0.36
PTGS2 P35354 1/20 0.35
HIF1A Q16665 1/20 0.35
KDR P35968 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
SCHEMBL5447398 0.91 PTGES (0.40) RAF1BRAFP2RX3TEKPTGES
SCHEMBL5795361 0.88 RIPK1 (0.41) RIPK1RAF1BRAFTEKPTGES
SCHEMBL5796359 0.79 PTGES (0.40) RAF1BRAFTEKPTGESKDR
SCHEMBL5447951 0.75 RAF1 (0.43) RIPK1RAF1BRAFTEKKDR
SCHEMBL5452321 0.75 ALDH1A1 (0.40) RIPK1RAF1BRAFTEKPTGES
SCHEMBL4170603 0.74 KDR (0.52) RIPK1RAF1BRAFKDR
SCHEMBL5457064 0.74 TTBK1 (0.44) RIPK1RAF1BRAFKDR
SCHEMBL5444098 0.74 KDM4E (0.46) RAF1BRAFTEKKDR
SCHEMBL13906237 0.74 RAF1 (0.71) RAF1BRAFKDR
SCHEMBL5449703 0.73 RIPK1 (0.42) RIPK1RAF1BRAFKDR

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.