SCHEMBL6835532

SCHEMBL6835532

NCCOc1cncc(C=Cc2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 1.00
ROCK2 O75116 5/20 1.00
PRKACA P17612 5/20 1.00
ROCK1 Q13464 5/20 1.00
DYRK1A Q13627 5/20 1.00
CLK4 Q9HAZ1 5/20 1.00
MAP4K4 O95819 4/20 1.00
PKN2 Q16513 4/20 1.00
MKNK2 Q9HBH9 4/20 1.00
STK17A Q9UEE5 4/20 1.00
PIM1 P11309 4/20 1.00
CLK2 P49760 3/20 1.00
PRKX P51817 3/20 1.00
PRKG1 Q13976 3/20 1.00
PRKCD Q05655 3/20 1.00
DYRK3 O43781 2/20 1.00
PRKD3 O94806 2/20 1.00
CHUK O15111 2/20 1.00
RPS6KA5 O75582 2/20 1.00
PRKG2 Q13237 2/20 1.00

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
SCHEMBL6855179 1.00 AKT1 (1.00) AKT1ROCK2PRKACAROCK1DYRK1A
Hydrochloric Acid SCHEMBL6855530 0.98 AKT1 (0.97) AKT1ROCK2PRKACAROCK1DYRK1A
Hydrochloric Acid SCHEMBL6833010 0.91 AKT1 (0.97) AKT1ROCK2PRKACAROCK1DYRK1A
SCHEMBL6835505 0.84 AKT1 (0.74) AKT1ROCK2PRKACAROCK1DYRK1A
SCHEMBL6833449 0.81 AKT1 (0.68) AKT1ROCK2PRKACAROCK1DYRK1A
SCHEMBL6833448 0.81 AKT1 (0.68) AKT1ROCK2PRKACAROCK1DYRK1A
SCHEMBL25343307 0.78 AKT1 (0.63) AKT1ROCK2PRKACAROCK1DYRK1A
SCHEMBL6833668 0.76 ROCK2 (1.00) AKT1ROCK2PRKACAROCK1DYRK1A
Hydrochloric Acid SCHEMBL6833457 0.75 AKT1 (0.97) AKT1ROCK2PRKACAROCK1DYRK1A
SCHEMBL7691608 0.74 AKT1 (0.59) AKT1ROCK2PRKACAROCK1DYRK1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 119/4885ROCK2 581/4885PRKACA 27/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885ROCK2 581/4885PRKACA 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.