SCHEMBL6857732

SCHEMBL6857732

CNc1cnnc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.71
AKT3 Q9Y243 4/20 0.70
PRKACA P17612 4/20 0.70
AKT2 P31751 3/20 0.70
PIM1 P11309 3/20 0.70
GSK3A P49840 3/20 0.70
GSK3B P49841 3/20 0.70
RPS6KA3 P51812 3/20 0.70
ROCK2 O75116 2/20 0.70
LIMK1 P53667 2/20 0.70
ROCK1 Q13464 2/20 0.70
PRKD2 Q9BZL6 2/20 0.70
PIM2 Q9P1W9 2/20 0.70
DAPK3 O43293 2/20 0.70
PRKD3 O94806 2/20 0.70
MAP4K4 O95819 2/20 0.70
PRKCG P05129 2/20 0.70
CDK1 P06493 2/20 0.70
MAPK1 P28482 2/20 0.70
KDR P35968 2/20 0.70

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
SCHEMBL6857730 1.00 AKT1 (0.71) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL6855233 0.92 AKT1 (0.69) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL7067613 0.92 AKT1 (0.69) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL6855228 0.92 AKT1 (0.69) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL7075521 0.89 AKT1 (0.68) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL6855961 0.89 AKT1 (0.68) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL6855969 0.89 AKT1 (0.68) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL6853475 0.88 AKT1 (0.76) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL6853472 0.88 AKT1 (0.76) AKT1AKT3PRKACAAKT2PIM1
SCHEMBL6857724 0.88 AKT1 (0.75) AKT1AKT3PRKACAAKT2PIM1

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 119/4885AKT3 156/4885PRKACA 27/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885AKT3 156/4885PRKACA 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.