SCHEMBL6851201

SCHEMBL6851201

N=C(NOC(=O)C(F)(F)F)c1ccc(-c2cncc(OC[C@H](N)Cc3c[nH]c4ccccc34)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.72
GSK3A P49840 4/20 0.67
RPS6KA3 P51812 4/20 0.67
DYRK1A Q13627 4/20 0.67
PRKCD Q05655 3/20 0.67
PRKD2 Q9BZL6 3/20 0.67
PIM1 P11309 3/20 0.67
PIM2 Q9P1W9 2/20 0.67
AKT3 Q9Y243 2/20 0.67
LIMK1 P53667 2/20 0.67
ROCK1 Q13464 2/20 0.67
GSK3B P49841 2/20 0.67
ROCK2 O75116 1/20 0.67
RPS6KB1 P23443 1/20 0.67
AKT2 P31751 1/20 0.67
CSNK1D P48730 2/20 0.62
STK3 Q13188 2/20 0.62
PRKD3 O94806 2/20 0.62
CLK2 P49760 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62

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
Trifluoroacetic Acid SCHEMBL6851197 0.90 AKT1 (0.74) AKT1GSK3ARPS6KA3DYRK1APRKCD
Trifluoroacetic Acid SCHEMBL6855871 0.88 AKT1 (0.77) AKT1GSK3ARPS6KA3DYRK1APRKCD
SCHEMBL6854791 0.84 AKT1 (1.00) AKT1GSK3ARPS6KA3DYRK1APRKCD
Trifluoroacetic Acid SCHEMBL6854707 0.83 AKT1 (0.83) AKT1GSK3ARPS6KA3DYRK1APRKCD
SCHEMBL6856050 0.81 AKT1 (1.00) AKT1GSK3ARPS6KA3DYRK1APRKCD
SCHEMBL6853377 0.80 AKT1 (1.00) AKT1GSK3ARPS6KA3DYRK1APRKCD
SCHEMBL6853380 0.80 AKT1 (1.00) AKT1GSK3ARPS6KA3DYRK1APRKCD
SCHEMBL6855409 0.80 AKT1 (1.00) AKT1GSK3ARPS6KA3DYRK1APRKCD
SCHEMBL6855412 0.80 AKT1 (1.00) AKT1GSK3ARPS6KA3DYRK1APRKCD
SCHEMBL6857787 0.79 AKT1 (1.00) AKT1GSK3ARPS6KA3DYRK1APRKCD

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 8 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 claimed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP claimed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US claimed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US claimed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO claimed
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 119/4885GSK3A 427/4885RPS6KA3 69/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885GSK3A 427/4885RPS6KA3 69/4885

“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.