Sugi Predict

Sugi Predict / Compounds / SCHEMBL6857586

SCHEMBL6857586

SCHEMBL6857586

Nc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 1.00
▸ PRKACA P17612 4/20 0.83
▸ AKT2 P31751 4/20 0.83
▸ PRKCD Q05655 4/20 0.83
▸ AKT3 Q9Y243 4/20 0.83
▸ ROCK2 O75116 3/20 0.83
▸ PIM1 P11309 3/20 0.83
▸ RPS6KB1 P23443 3/20 0.83
▸ ROCK1 Q13464 3/20 0.83
▸ DYRK1A Q13627 3/20 0.83
▸ CDC42BPA Q5VT25 3/20 0.83
▸ PRKCG P05129 2/20 0.83
▸ MAPK1 P28482 2/20 0.83
▸ CDC7 O00311 2/20 0.83
▸ DYRK3 O43781 2/20 0.83
▸ PRKD3 O94806 2/20 0.83
▸ MAP4K4 O95819 2/20 0.83
▸ PHKG2 P15735 2/20 0.83
▸ CLK2 P49760 2/20 0.83
▸ GSK3A P49840 2/20 0.83

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
SCHEMBL6857592 1.00 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL6857588 1.00 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL7164584 1.00 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
Trifluoroacetic Acid SCHEMBL6853281 0.92 AKT1 (0.85) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL7246986 0.91 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL21067525 0.91 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL6853457 0.91 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL6855442 0.91 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL6854834 0.91 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3
SCHEMBL6855447 0.91 AKT1 (1.00) AKT1PRKACAAKT2PRKCDAKT3

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 5 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
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 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
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 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 27/4885AKT2 151/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PRKACA 27/4885AKT2 151/4885

“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.