SCHEMBL6833730

SCHEMBL6833730

N[C@@H](COCc1ccccc1)COc1cncc(/C=C/c2ccncc2)c1

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
PRKCD Q05655 5/20 1.00
ROCK2 O75116 4/20 1.00
PIM1 P11309 4/20 1.00
ROCK1 Q13464 4/20 1.00
DYRK1A Q13627 4/20 1.00
RPS6KB1 P23443 3/20 1.00
GSK3A P49840 3/20 1.00
GSK3B P49841 3/20 1.00
CDC42BPA Q5VT25 3/20 1.00
AKT3 Q9Y243 3/20 1.00
RPS6KA5 O75582 3/20 1.00
MAP4K4 O95819 3/20 1.00
CLK2 P49760 3/20 1.00
PRKX P51817 3/20 1.00
PRKG2 Q13237 3/20 1.00
PRKG1 Q13976 3/20 1.00
PKN2 Q16513 3/20 1.00
PRKD2 Q9BZL6 3/20 1.00

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
SCHEMBL6833733 1.00 AKT1 (1.00) AKT1PRKACAPRKCDROCK2PIM1
Hydrochloric Acid SCHEMBL6834293 0.99 AKT1 (0.98) AKT1PRKACAPRKCDROCK2PIM1
Hydrochloric Acid SCHEMBL6834295 0.99 AKT1 (0.98) AKT1PRKACAPRKCDROCK2PIM1
Hydrochloric Acid SCHEMBL6833630 0.86 AKT1 (0.98) AKT1PRKACAPRKCDROCK2PIM1
Hydrochloric Acid SCHEMBL6835588 0.84 AKT1 (0.84) AKT1PRKACAPRKCDROCK2PIM1
Hydrochloric Acid SCHEMBL6931715 0.81 AKT1 (0.67) AKT1PRKACAPRKCDROCK2PIM1
SCHEMBL6849727 0.79 AKT1 (1.00) AKT1PRKACAPRKCDROCK2PIM1
SCHEMBL6849719 0.79 AKT1 (1.00) AKT1PRKACAPRKCDROCK2PIM1
SCHEMBL6855881 0.78 AKT1 (1.00) AKT1PRKACAPRKCDROCK2PIM1
SCHEMBL6855886 0.78 AKT1 (1.00) AKT1PRKACAPRKCDROCK2PIM1

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 27/4885PRKCD 279/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PRKACA 27/4885PRKCD 279/4885

“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.