SCHEMBL5459673

SCHEMBL5459673

Fc1cc(F)c2nc(Nc3ccc(OC4=COC(Cc5ccccc5)O4)cc3)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CETP P11597 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
PDE10A Q9Y233 7/20 0.33
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 1/20 0.31
IDH2 P48735 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL5447120 0.87 PDE10A (0.44) CSNK1A1CSNK1DPDE10AERN1KDM4E
SCHEMBL5444073 0.85 CSNK1A1 (0.41) CSNK1A1CSNK1DPDE10AKDM4EKDR
SCHEMBL5449706 0.83 RIPK1 (0.39) CSNK1A1CSNK1DPDE10AKDR
SCHEMBL5450107 0.83 CBFB (0.37) CSNK1A1CSNK1DPDE10AKDR
SCHEMBL5459667 0.69 SYK (0.44) CYP1A2CYP3A4CYP2D6CYP2C19CSNK1A1
SCHEMBL5447392 0.68 CSNK1A1 (0.42) CSNK1A1CSNK1DPDE10AKDM4EIDH2
SCHEMBL921952 0.67
SCHEMBL921631 0.66 MAOB (0.42)
SCHEMBL2489990 0.66 PDE10A (0.61) PDE10A
SCHEMBL5767341 0.64 PDE10A (0.38) CYP1A2CYP3A4CYP2D6CETPCYP2C9

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 CYP1A2 2260/4885CYP3A4 3875/4885CYP2D6 3542/4885

“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.