SCHEMBL6854536

SCHEMBL6854536

N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1csc2ccccc12

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 0.67
PRKCD Q05655 4/20 0.67
AKT2 P31751 3/20 0.67
AKT3 Q9Y243 3/20 0.67
ROCK2 O75116 3/20 0.67
PIM1 P11309 3/20 0.67
RPS6KB1 P23443 3/20 0.67
GSK3A P49840 3/20 0.67
GSK3B P49841 3/20 0.67
ROCK1 Q13464 3/20 0.67
DYRK1A Q13627 3/20 0.67
CDC42BPA Q5VT25 3/20 0.67
PRKCG P05129 2/20 0.67
MAPK1 P28482 2/20 0.67
CHUK O15111 2/20 0.67
CSNK1D P48730 2/20 0.67
RPS6KA5 O75582 2/20 0.67
MAP4K4 O95819 2/20 0.67
CLK2 P49760 2/20 0.67

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
SCHEMBL6854542 1.00 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
Hydrochloric Acid SCHEMBL6833583 0.82 AKT1 (0.98) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL31216094 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL21067525 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL6855447 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL6853457 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL7246986 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL6855442 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL6854834 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3
SCHEMBL6853461 0.80 AKT1 (1.00) AKT1PRKACAPRKCDAKT2AKT3

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 27/4885PRKCD 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.