SCHEMBL4525281

SCHEMBL4525281

N#Cc1cc2c(OS(=O)(=O)C(F)(F)F)ccnc2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ESR2 Q92731 1/20 0.35
IDO1 P14902 5/20 0.35
EIF4EBP1 Q13541 7/20 0.34
SLC22A12 Q96S37 2/20 0.33
CHEK1 O14757 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL4792544 0.91 SLC22A12 (0.32) PDE4APDE4CPDE4DESR2IDO1
SCHEMBL2185158 0.81 PDE4A (0.34) PDE4APDE4CPDE4DESR2IDO1
SCHEMBL29397704 0.76 PTGS1 (0.36) ESR2SLC22A12CA1CA2
SCHEMBL28721905 0.76 PTGS1 (0.36) ESR2SLC22A12CA1CA2
SCHEMBL591544 0.75 IDO1 (0.45) IDO1SLC22A12
SCHEMBL14999154 0.75 SRC (0.39) ESR2SLC22A12
SCHEMBL632944 0.74 LMNA (0.52) SLC22A12
SCHEMBL371799 0.74 PDGFRB (0.51)
SCHEMBL22492353 0.74 GAK (0.44) ESR2IDO1SLC22A12CHEK1
SCHEMBL26632797 0.74 NR4A2 (0.45) PDE4APDE4CPDE4DESR2SLC22A12

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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 PDE4A 433/4885PDE4C 342/4885PDE4D 310/4885

“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.