SCHEMBL5773211

SCHEMBL5773211

O=C(O)c1c(Cc2ccccc2)n(C2CC2)c2cc(OS(=O)(=O)C(F)(F)F)c(F)cc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.33
PIM1 P11309 2/20 0.33
GSK3A P49840 2/20 0.33
PRKD3 O94806 1/20 0.33
IRAK1 P51617 1/20 0.33
RPS6KA3 P51812 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIM3 Q86V86 1/20 0.33
CSNK1G3 Q9Y6M4 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD5 P21918 2/20 0.32
DRD3 P35462 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
AGTR1 P30556 1/20 0.32

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
SCHEMBL5773206 0.74 STAT3 (0.42) GSK3BTOP2ATOP2B
SCHEMBL29023850 0.72 KDM4E (0.41) GSK3BPIM1GSK3APRKD3IRAK1
SCHEMBL139670 0.70 KCNH2 (0.35) GSK3BPIM1GSK3APRKD3PIM3
SCHEMBL141441 0.69 KCNH2 (0.31) KCNH2DRD2DRD1DRD4DRD5
SCHEMBL10413065 0.67 ALDH1A1 (0.46) GSK3BTOP2ATOP2B
SCHEMBL4296349 0.67 ADRB2 (0.47) KCNH2TOP2ATOP2B
SCHEMBL9014024 0.66 PRKD3 (0.40) GSK3BPIM1GSK3APRKD3IRAK1
SCHEMBL28440264 0.62 PIM1 (0.38) GSK3BPIM1GSK3APRKD3IRAK1
SCHEMBL10412669 0.62 ALDH1A1 (0.48) DRD3TP53
SCHEMBL7119688 0.61 HPGD (0.57) DRD3

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
EP-1349853-B1 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2006-03-08 EP disclosed
US-6869965-B2 Such as 2-methylpropyl-(4-bromo-3-fluorophenyl)carbamate PHARMACIA & UPJOHN COMPANY (US) 2005-03-22 US disclosed
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6689769-B2 BACTERICIDES PHARMACIA & UPJOHN COMPANY 2004-02-10 US disclosed
US-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2003-01-16 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 (2 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-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 GSK3B 2572/4885PIM1 3560/4885GSK3A 2099/4885
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 GSK3B 2572/4885PIM1 3560/4885GSK3A 2099/4885

“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.