SCHEMBL4497231

SCHEMBL4497231

COc1ccc2nccc(NC(=O)C3CCC(NCC=Cc4cc(F)ccc4F)CN3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
SLC2A1 P11166 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDR P35968 2/20 0.35
PDGFRA P16234 1/20 0.35
EGFR P00533 1/20 0.35
GAK O14976 2/20 0.35
RIPK2 O43353 1/20 0.35
COQ8A Q8NI60 1/20 0.35
NLK Q9UBE8 1/20 0.35
DDR2 Q16832 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
NEK4 P51957 1/20 0.34

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
SCHEMBL4497222 1.00 KCNH2 (0.46) KCNH2SLC2A1HTR1AADRA1DADRA1A
SCHEMBL4520969 0.86 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL4520967 0.86 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL4505006 0.76 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL4504998 0.76 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL4511440 0.75 KCNH2 (0.62) KCNH2
SCHEMBL4768167 0.75 KCNH2 (0.62) KCNH2
SCHEMBL4508624 0.74 KCNH2 (0.45) KCNH2SLC2A1EGFR
SCHEMBL4508632 0.74 KCNH2 (0.45) KCNH2SLC2A1EGFR
SCHEMBL4520953 0.73 PLAU (0.33) KCNH2

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 KCNH2 1951/4885SLC2A1 3896/4885HTR1A 3005/4885

“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.