SCHEMBL6870760

SCHEMBL6870760

[CH]=Cc1ccc(-c2ncccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.47
ADRB2 P07550 2/20 0.47
CYP2A6 P11509 1/20 0.40
AOC3 Q16853 2/20 0.37
DYRK1A Q13627 1/20 0.34
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
HDAC4 P56524 1/20 0.33
CYP3A4 P08684 1/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
KDM1A O60341 1/20 0.32
MEN1 O00255 3/20 0.31

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
SCHEMBL6685962 0.80 CLK4 (0.64) CLK4ADRB2CYP2A6AOC3DYRK1A
SCHEMBL1124023 0.77 ALDH1A1 (0.52) CLK4ADRB2CYP2A6SMN1; SMN2KDM4E
SCHEMBL16625771 0.77 CLK4 (0.61) CLK4ADRB2CYP2A6AOC3DYRK1A
Cyanide SCHEMBL22130160 0.77 ADRB2 (0.43) CLK4ADRB2CYP2A6AOC3NPC1
SCHEMBL6226582 0.74 CLK4 (0.44) CLK4ADRB2CYP2A6AOC3DYRK1A
SCHEMBL6310337 0.72 CLK4 (0.42) CLK4ADRB2CYP2A6AOC3DYRK1A
SCHEMBL5799195 0.71 ALDH1A1 (0.52) CLK4ADRB2CYP2A6AOC3NPC1
SCHEMBL5799192 0.71 ALDH1A1 (0.52) CLK4ADRB2CYP2A6AOC3NPC1
SCHEMBL2363317 0.71 ALDH1A1 (0.38) ALDH1A1
SCHEMBL29637612 0.70 CLK4 (0.54) CLK4ADRB2CYP2A6AOC3DYRK1A

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CLK4 3870/4885ADRB2 4390/4885CYP2A6 194/4885

“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.