SCHEMBL5454095

SCHEMBL5454095

Fc1cc(C(F)(F)F)cc2[nH]c(Nc3ccc(Oc4cccc5nsnc45)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.38
CSNK1A1 P48729 2/20 0.37
CSNK1D P48730 2/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
KDR P35968 8/20 0.35
TEK Q02763 6/20 0.35
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34

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
SCHEMBL5457054 0.91 KDR (0.41) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5453181 0.90 RIPK1 (0.40) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5447181 0.85 RAF1 (0.44) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL4161466 0.78 KDR (0.53) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5767341 0.77 PDE10A (0.38) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5449925 0.76 KDR (0.49) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5450818 0.76 RIPK1 (0.41) DYRK1ADYRK1BRAF1BRAFKDR
SCHEMBL5456254 0.75 RAF1 (0.44) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5459650 0.74 RAF1 (0.43) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5447392 0.73 CSNK1A1 (0.42) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2

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 PDE10A 4420/4885CSNK1A1 609/4885CSNK1D 627/4885

“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.