SCHEMBL6853224

SCHEMBL6853224

Oc1cncc(C=Cc2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.61
PRKACA P17612 6/20 0.61
ROCK1 Q13464 6/20 0.61
DYRK1A Q13627 6/20 0.61
MAP4K4 O95819 5/20 0.61
PKN2 Q16513 5/20 0.61
CLK4 Q9HAZ1 5/20 0.61
MKNK2 Q9HBH9 4/20 0.61
STK17A Q9UEE5 4/20 0.61
NTRK3 Q16288 1/20 0.61
AKT1 P31749 12/20 0.53
PIM1 P11309 5/20 0.53
CLK2 P49760 4/20 0.53
PRKX P51817 4/20 0.53
PRKG1 Q13976 4/20 0.53
DYRK3 O43781 3/20 0.53
PRKG2 Q13237 3/20 0.53
CHUK O15111 3/20 0.53
PRKCD Q05655 3/20 0.53
PRKD3 O94806 2/20 0.53

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
SCHEMBL6853217 1.00 ROCK2 (0.61) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL6036979 0.81 CYP1A2 (0.64) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL6036982 0.81 CYP1A2 (0.64) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL9000385 0.78 LCK (0.41) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL987852 0.76 RAB9A (0.57) PIM1ALOX5CYP1A2CYP1A1CYP1B1
SCHEMBL987851 0.76 RAB9A (0.57) PIM1ALOX5CYP1A2CYP1A1CYP1B1
SCHEMBL9126350 0.76 LCK (0.64) ALOX5CYP1A2CYP1A1CYP1B1HPGD
SCHEMBL6851144 0.76 NPC1 (0.61) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL9126344 0.76 LCK (0.64) ALOX5CYP1A2CYP1A1CYP1B1HPGD
SCHEMBL6853297 0.76 ROCK2 (0.56) 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 5 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 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-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 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.