SCHEMBL6850433

SCHEMBL6850433

CC(C)(C)OC(=O)NC(COc1cncc(-c2ccc3cnc(C#N)cc3c2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.68
CDK1 P06493 4/20 0.61
PRKACA P17612 4/20 0.61
PRKCG P05129 3/20 0.61
AKT2 P31751 3/20 0.61
AKT3 Q9Y243 3/20 0.61
PRKD3 O94806 2/20 0.61
PIM1 P11309 2/20 0.61
KDR P35968 2/20 0.61
CLK2 P49760 2/20 0.61
GSK3A P49840 2/20 0.61
GSK3B P49841 2/20 0.61
RPS6KA3 P51812 2/20 0.61
PRKX P51817 2/20 0.61
PRKCD Q05655 2/20 0.61
MAP4K2 Q12851 2/20 0.61
DYRK1A Q13627 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
DYRK3 O43781 1/20 0.61
ROCK2 O75116 1/20 0.61

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
SCHEMBL6850425 1.00 AKT1 (0.68) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6853495 0.90 AKT1 (0.68) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6853493 0.90 AKT1 (0.68) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6853319 0.89 AKT1 (0.68) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6853315 0.89 AKT1 (0.68) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6857801 0.86 AKT1 (0.55) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6857804 0.86 AKT1 (0.55) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6854812 0.84 AKT1 (0.61) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6854809 0.84 AKT1 (0.61) AKT1CDK1PRKACAPRKCGAKT2
SCHEMBL6858075 0.83 HDAC3 (0.63) AKT1CDK1PRKACAPRKCGAKT2

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 3 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
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 119/4885CDK1 29/4885PRKACA 27/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885CDK1 29/4885PRKACA 27/4885

“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.