SCHEMBL6855253

SCHEMBL6855253

Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(F)c4F)c3)cc12

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.77
PRKACA P17612 2/20 0.65
PRKACG P22612 2/20 0.65
PRKACB P22694 2/20 0.65

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
SCHEMBL6857883 0.92 AKT1 (0.77) AKT1PRKACAPRKACGPRKACB
SCHEMBL6853533 0.90 AKT1 (0.63) AKT1PRKACAPRKACGPRKACB
SCHEMBL6849737 0.90 AKT1 (0.63) AKT1PRKACAPRKACGPRKACB
SCHEMBL6853384 0.90 AKT1 (0.77) AKT1PRKACAPRKACGPRKACB
SCHEMBL6849762 0.90 AKT1 (0.67) AKT1PRKACAPRKACGPRKACB
SCHEMBL6855551 0.89 AKT1 (0.68) AKT1PRKACAPRKACGPRKACB
SCHEMBL6857971 0.89 AKT1 (0.77) AKT1PRKACAPRKACGPRKACB
SCHEMBL6855388 0.88 AKT1 (0.78) AKT1PRKACAPRKACGPRKACB
SCHEMBL6854927 0.87 AKT1 (0.68) AKT1
SCHEMBL6853549 0.87 AKT1 (0.79) AKT1PRKACAPRKACGPRKACB

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 6 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
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US claimed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US 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.