SCHEMBL143695

SCHEMBL143695

CCOC(=O)c1cn(C2CC2)c2c(C#CCC3C[C@@H](CNC(=O)OC(C)(C)C)CN3C(=O)OC(C)(C)C)c(F)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
STAT3 P40763 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP2A P11388 4/20 0.33
TOP2B Q02880 4/20 0.33
KCNH2 Q12809 4/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GSK3B P49841 2/20 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
SCHEMBL141300 1.00 ADRB2 (0.43) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL139825 0.90 ADRB2 (0.44) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL146240 0.90 ADRB2 (0.44) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL140444 0.90 ADRB2 (0.44) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL143670 0.90 ADRB2 (0.44) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL114940 0.89 ADRB2 (0.47) ADRB2STAT3TOP2ATOP2BKCNH2
SCHEMBL147194 0.89 ADRB2 (0.45) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL145193 0.89 ADRB2 (0.45) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL144078 0.86 ADRB2 (0.44) ADRB2STAT3MEN1KMT2ATOP2A
SCHEMBL115076 0.86 ADRB2 (0.47) ADRB2STAT3KMT2ATOP2ATOP2B

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ADRB2 702/4885STAT3 4808/4885MEN1 3668/4885

“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.