SCHEMBL6879607

SCHEMBL6879607

O=C/C=C(/F)c1ccc(-c2ncccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.39
ADRB2 P07550 1/20 0.39
AOC3 Q16853 2/20 0.38
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
HDAC4 P56524 2/20 0.35
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
MAOA P21397 1/20 0.34
CYP2A6 P11509 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SLC6A7 Q99884 1/20 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
SCHEMBL6879610 1.00 CLK4 (0.39) CLK4ADRB2AOC3MKNK1MKNK2
SCHEMBL6879603 1.00 CLK4 (0.39) CLK4ADRB2AOC3MKNK1MKNK2
SCHEMBL6852193 0.78 CLK4 (0.41) CLK4ADRB2AOC3MKNK1MKNK2
SCHEMBL6852195 0.78 CLK4 (0.41) CLK4ADRB2AOC3MKNK1MKNK2
SCHEMBL6869730 0.75 ADRB2 (0.43) CLK4ADRB2AOC3MKNK1MKNK2
SCHEMBL6869726 0.75 ADRB2 (0.43) CLK4ADRB2AOC3MKNK1MKNK2
SCHEMBL6877431 0.75 ADRB2 (0.43) CLK4ADRB2AOC3MKNK1MKNK2
SCHEMBL28150019 0.74 TDP1 (0.44) CYP2A6CYP3A4KMT2AMEN1
SCHEMBL28072476 0.71 CES2 (0.44) CYP3A4
SCHEMBL6685962 0.71 CLK4 (0.64) CLK4ADRB2AOC3HDAC4CYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4390/4885AOC3 1365/4885

“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.