SCHEMBL5066259

SCHEMBL5066259

Nc1nonc1C1=Nc2c(-c3cccc(Cl)c3)ncc(C(=O)NCCNCc3ccccc3)c2[N+]1(CC1CC1)OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KLKB1 P03952 1/20 0.32
CASR P41180 1/20 0.32
GABRA5 P31644 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 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
SCHEMBL5063616 0.78 CNR2 (0.38) KDM4ESMN1; SMN2GABRA5CNR2
Trifluoroacetic Acid SCHEMBL5066248 0.75 SLC2A1 (0.45) KDM4EKMT2ATHRBCYP1A2CYP2D6
SCHEMBL4065699 0.73 KDM4E (0.41) KDM4EKMT2ATHRBCYP1A2CYP2D6
SCHEMBL5058486 0.72 CNR1 (0.37) GABRA5CNR2TSHRTP53
SCHEMBL5063654 0.71 CNR1 (0.31) CNR2
SCHEMBL5063624 0.71 CNR1 (0.31)
SCHEMBL5066332 0.70 CDK1 (0.36) KDM4EKMT2ACYP1A2CYP3A4MEN1
SCHEMBL5597324 0.66 KDM4E (0.39) KDM4EKMT2AMAPK1SMN1; SMN2KLKB1
SCHEMBL4810554 0.62 AKT1 (0.38)
SCHEMBL4070786 0.59 SLC2A1 (0.39) MAPK1GABRA5

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 KDM4E 2078/4885KMT2A 1852/4885THRB 1254/4885

“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.