SCHEMBL6310337

SCHEMBL6310337

F/[C]=C/c1ccc(-c2ncccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.42
ADRB2 P07550 2/20 0.42
AOC3 Q16853 2/20 0.37
CYP2A6 P11509 1/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
DYRK1A Q13627 1/20 0.32
HDAC4 P56524 2/20 0.31
CYP3A4 P08684 1/20 0.31
PIK3CD O00329 1/20 0.31
PIP5K1C O60331 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6685962 0.75 CLK4 (0.64) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL6226582 0.73 CLK4 (0.44) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL1124023 0.72 ALDH1A1 (0.52) CLK4ADRB2CYP2A6SMN1; SMN2
SCHEMBL6870760 0.72 CLK4 (0.47) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL16625771 0.72 CLK4 (0.61) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL6850715 0.69 CLK4 (0.40) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL6850718 0.69 CLK4 (0.40) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL12428996 0.69 CLK4 (0.52) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL2258014 0.69 CLK4 (0.52) CLK4ADRB2AOC3CYP2A6NPC1
SCHEMBL10648374 0.68 KDM4E (0.44) CLK4ADRB2AOC3CYP2A6HDAC4

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-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents ZHU BIN 2005-11-10 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-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents MRPL21, TTC14, MRPL12 CLK4 3828/4885ADRB2 4761/4885AOC3 4549/4885

“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.