SCHEMBL6854499

SCHEMBL6854499

N[C@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 1.00
PRKACA P17612 5/20 1.00
PRKACG P22612 5/20 1.00
PRKACB P22694 5/20 1.00
CDK1 P06493 3/20 0.76
SRC P12931 3/20 0.76
AKT2 P31751 3/20 0.76
AKT3 Q9Y243 3/20 0.76
PRKCG P05129 2/20 0.76
CSNK2A2 P19784 2/20 0.76
MAPK1 P28482 2/20 0.76
CSNK2B P67870 2/20 0.76
CSNK2A1 P68400 2/20 0.76
PRKCE Q02156 2/20 0.76
PIM1 P11309 2/20 0.76
GSK3A P49840 2/20 0.76
GSK3B P49841 2/20 0.76
RPS6KA3 P51812 2/20 0.76
DYRK1A Q13627 2/20 0.76
PRKCD Q05655 2/20 0.76

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
SCHEMBL6855942 0.93 AKT1 (0.86) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6853331 0.90 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6855666 0.89 AKT1 (0.79) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6855691 0.89 AKT1 (0.79) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6932340 0.89 AKT1 (0.79) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6855526 0.88 AKT1 (0.82) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6854467 0.86 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6855488 0.86 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL6855274 0.85 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBCDK1
SCHEMBL2738468 0.85 AKT1 (0.78) AKT1PRKACAPRKACGPRKACBCDK1

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 119/4885PRKACA 27/4885PRKACG 37/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PRKACA 27/4885PRKACG 37/4885

“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.