SCHEMBL6855150

SCHEMBL6855150

C#Cc1cncc(ON(C(=O)O)C(C)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
APAF1 O14727 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
P2RY14 Q15391 1/20 0.41
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
EEF2K O00418 1/20 0.40
DYRK3 O43781 1/20 0.40

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
SCHEMBL6855958 0.87 KDM4E (0.48) AKT1POLBKDM4EMAPTAPAF1
SCHEMBL6853355 0.84 AKT1 (0.61) AKT1EEF2KDYRK3PRKD3CSNK1D
SCHEMBL6853397 0.79 AKT1 (0.54) AKT1EEF2KDYRK3PRKD3CSNK1D
SCHEMBL6854348 0.78 MAPT (0.45) AKT1POLBKDM4EMAPTAPAF1
SCHEMBL6849850 0.77 MAPT (0.50) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL6855144 0.76 AKT1 (0.54) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6850417 0.76 AKT1 (0.46) AKT1POLBKDM4EMAPTAPAF1
SCHEMBL6857977 0.74 AKT1 (0.64) AKT1DYRK3PRKD3CSNK1DCLK2
SCHEMBL6849729 0.73 POLB (0.46) AKT1POLBKDM4EMAPTAPAF1
SCHEMBL6855260 0.69 AKT1 (0.50) AKT1POLBKDM4EMAPTAPAF1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885POLB 1491/4885KDM4E 1738/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885POLB 1491/4885KDM4E 1738/4885

“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.