SCHEMBL4539780

SCHEMBL4539780

CC(=O)c1cccc(-c2cccc(-c3cnc(N)o3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.49
CLK4 Q9HAZ1 3/20 0.49
CSNK1G2 P78368 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
ATR Q13535 2/20 0.47
KDR P35968 3/20 0.47
FLT4 P35916 2/20 0.47
MAPK8 P45983 2/20 0.47
CDK8 P49336 2/20 0.47
ACVR1 Q04771 2/20 0.47
MST1R Q04912 2/20 0.47
ROCK1 Q13464 2/20 0.47
LRRK2 Q5S007 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
PLK4 O00444 1/20 0.47
DCLK1 O15075 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
PAK4 O96013 1/20 0.47

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
SCHEMBL4528767 0.79 RAB9A (0.47) MAP4K4KDRFLT4FLT1FAAH
SCHEMBL4539660 0.78 HSD17B1 (0.55) MAP4K4VCPFAAHKMT2A
SCHEMBL4534870 0.78 KDR (0.47) MAP4K4CLK4ATRKDRFLT4
SCHEMBL4530786 0.77 RAB9A (0.41) MAP4K4ATRKDRFLT4SYK
SCHEMBL10389918 0.74 MAP4K4 (0.59) MAP4K4CLK4CSNK1G2MKNK2MAP4K5
SCHEMBL4532640 0.74 RXRA (0.40) MAP4K4KDRFLT4CDK8FLT1
SCHEMBL14650182 0.74 MAP4K4 (0.54) MAP4K4MKNK2FAAHNPC1RAB9A
SCHEMBL4537136 0.74 MEN1 (0.56) MKNK2KDRFLT4DYRK1BFLT1
SCHEMBL4534098 0.74 RAB9A (0.44) MAP4K4FAAHNPC1RAB9AKMT2A
SCHEMBL4535226 0.73 CYP17A1 (0.39) KDRFLT4FLT1FAAHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B MAP4K4 1872/4885CLK4 2737/4885CSNK1G2 1437/4885

“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.