SCHEMBL5447398

SCHEMBL5447398

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.40
RAF1 P04049 4/20 0.40
BRAF P15056 3/20 0.40
KDR P35968 3/20 0.38
TEK Q02763 2/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL5452154 0.91 RIPK1 (0.41) PTGESRAF1BRAFKDRTEK
SCHEMBL5796359 0.88 PTGES (0.40) PTGESRAF1BRAFKDRTEK
SCHEMBL5795361 0.79 RIPK1 (0.41) PTGESRAF1BRAFKDRTEK
SCHEMBL5444078 0.75 PTGES (0.41) PTGESRAF1BRAFKDR
SCHEMBL4164494 0.74 KDR (0.59) PTGESRAF1BRAFKDRTEK
SCHEMBL5459699 0.74 KDR (0.46) RAF1BRAFKDRTEK
SCHEMBL5453152 0.74 KDM4E (0.46) RAF1BRAFKDRTEK
SCHEMBL5450105 0.73 KDR (0.44) PTGESRAF1BRAFKDRTEK
SCHEMBL5444955 0.72 KDR (0.48) RAF1BRAFKDRTEK
SCHEMBL5452188 0.72 KDR (0.44) RAF1BRAFKDRTEK

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 PTGES 2702/4885RAF1 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.