SCHEMBL6833668

SCHEMBL6833668

COc1cncc(C=Cc2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 1.00
PRKACA P17612 5/20 1.00
ROCK1 Q13464 5/20 1.00
DYRK1A Q13627 5/20 1.00
MAP4K4 O95819 4/20 1.00
PKN2 Q16513 4/20 1.00
CLK4 Q9HAZ1 4/20 1.00
MKNK2 Q9HBH9 3/20 1.00
STK17A Q9UEE5 3/20 1.00
NTRK3 Q16288 1/20 1.00
CYP1A2 P05177 3/20 0.71
CYP1A1 P04798 3/20 0.71
CYP1B1 Q16678 3/20 0.71
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65

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
SCHEMBL7047642 0.83 CYP1A1 (1.00) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL7047647 0.83 CYP1A1 (1.00) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL9000616 0.80 ROCK2 (0.67) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL8050491 0.79 CYP1A2 (1.00) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL8046590 0.79 CYP1A2 (1.00) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL6835505 0.78 AKT1 (0.74) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL9605438 0.77 CYP1A1 (0.80) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL6835532 0.76 AKT1 (1.00) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL6855179 0.76 AKT1 (1.00) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL6833449 0.76 AKT1 (0.68) ROCK2PRKACAROCK1DYRK1AMAP4K4

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 ROCK2 581/4885PRKACA 27/4885ROCK1 446/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ROCK2 581/4885PRKACA 27/4885ROCK1 446/4885

“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.