SCHEMBL6857736

SCHEMBL6857736

Nc1nc(Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc2)c2nc[nH]c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.71
AKT2 P31751 3/20 0.63
AKT3 Q9Y243 3/20 0.63
PIM1 P11309 2/20 0.63
GSK3A P49840 2/20 0.63
GSK3B P49841 2/20 0.63
RPS6KA3 P51812 2/20 0.63
PRKCD Q05655 2/20 0.63
DYRK1A Q13627 2/20 0.63
ROCK2 O75116 1/20 0.63
RPS6KB1 P23443 1/20 0.63
LIMK1 P53667 1/20 0.63
ROCK1 Q13464 1/20 0.63
PRKD2 Q9BZL6 1/20 0.63
PIM2 Q9P1W9 1/20 0.63
PRKACA P17612 3/20 0.60
PRKACG P22612 3/20 0.60
PRKACB P22694 3/20 0.60
PRKCG P05129 2/20 0.60
CDK1 P06493 2/20 0.60

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
SCHEMBL6849889 0.93 AKT1 (0.70) AKT1AKT2AKT3PIM1GSK3A
Ammonia Solution, Strong SCHEMBL6853385 0.85 AKT1 (0.64) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6855809 0.83 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6855412 0.83 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6855409 0.83 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6856062 0.82 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6856052 0.82 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6853331 0.78 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6856050 0.78 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6853377 0.78 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A

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 11 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
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-20040023928-A1 Phosphonate nucleotide and thiadiazole compounds for the treatment of smallpox COLACINO JOSEPH MATTHEW (US) 2004-02-05 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
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 119/4885AKT2 151/4885AKT3 156/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885AKT2 151/4885AKT3 156/4885

“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.