SCHEMBL140634

SCHEMBL140634

CCc1c(C(=O)O)c(=O)c2cc(F)c(F)c(CBr)c2n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
TOP2A P11388 6/20 0.36
TOP2B Q02880 6/20 0.36
KCNH2 Q12809 3/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ADRB2 P07550 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33

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
SCHEMBL142409 0.90 GSK3B (0.37) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL143726 0.86 TOP2A (0.39) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL143606 0.86 KCNH2 (0.40) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL144443 0.83 GSK3B (0.36) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL3337171 0.83 KCNH2 (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL7489369 0.83 STAT3 (0.40) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL143976 0.83 GSK3B (0.36) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL3134076 0.81 KCNH2 (0.38) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL142290 0.80 KDM4E (0.33) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL142291 0.80 KDM4E (0.33) PIM1GSK3AGSK3BPIM3CSNK1G1

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
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 PIM1 4739/4885GSK3A 4259/4885GSK3B 3846/4885

“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.