SCHEMBL5067636

SCHEMBL5067636

CC[N+]1(OC(=O)C(F)(F)F)C(c2nonc2N)=Nc2c(-c3ccccc3)ncc(C(=O)NCCC3CCCN3C)c21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ACKR3 P25106 2/20 0.38
POLR1A O95602 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
METAP2 P50579 1/20 0.32
SLC2A1 P11166 1/20 0.32
BRAF P15056 1/20 0.32
ADORA2A P29274 2/20 0.32
CHRM4 P08173 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA1 P30542 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
SCHEMBL5062673 0.86 TP53 (0.37)
SCHEMBL5058486 0.85 CNR1 (0.37) SLC2A1
SCHEMBL5062946 0.83 ATG4B (0.39)
SCHEMBL5063654 0.79 CNR1 (0.31) SLC2A1
SCHEMBL5063624 0.76 CNR1 (0.31)
SCHEMBL5058490 0.76 ALDH1A1 (0.34) SLC2A1
Trifluoroacetic Acid SCHEMBL5067633 0.75 SLC2A1 (0.53) CACNA1BAPBA1ACKR3SLC2A1
SCHEMBL5066332 0.74 CDK1 (0.36)
SCHEMBL4064638 0.73 RPS6KA5 (0.51) CACNA1BAPBA1ACKR3SLC2A1
SCHEMBL4810554 0.68 AKT1 (0.38)

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-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 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 (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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 CACNA1B 4700/4885APBA1 1794/4885ACKR3 3672/4885

“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.