SCHEMBL3608714

SCHEMBL3608714

O=C(NC(CCN1CCCC1)c1ccccc1)N1CC=C(c2cnc3[nH]ccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.46
ROCK2 O75116 5/20 0.46
AKT3 Q9Y243 4/20 0.46
MAPK1 P28482 3/20 0.46
MAP4K4 O95819 3/20 0.46
FGFR1 P11362 3/20 0.46
MARK3 P27448 3/20 0.46
FLT4 P35916 3/20 0.46
FLT3 P36888 3/20 0.46
CLK2 P49760 3/20 0.46
MAP4K2 Q12851 3/20 0.46
AURKB Q96GD4 3/20 0.46
PRKD2 Q9BZL6 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MAP4K5 Q9Y4K4 3/20 0.46
MINK1 Q8N4C8 2/20 0.46
AXL P30530 2/20 0.46
CHEK1 O14757 2/20 0.46
CHEK2 O96017 2/20 0.46
PRKCG P05129 2/20 0.46

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
SCHEMBL3607698 0.84 MAPK1 (0.42) ROCK1ROCK2AKT3MAPK1MAP4K4
SCHEMBL3602220 0.81 AKT3 (0.61) ROCK1ROCK2AKT3MAPK1MAP4K4
SCHEMBL3608525 0.76 ROCK1 (0.79) ROCK1ROCK2AKT3MAPK1MAP4K4
SCHEMBL3602313 0.75 PRKG1 (0.64) ROCK1ROCK2AKT3MAPK1MAP4K4
SCHEMBL27819463 0.71 TNIK (0.50) ROCK1ROCK2AKT3MAPK1MAP4K4
SCHEMBL3600660 0.69 ROCK1 (0.50) ROCK1ROCK2MAP4K4FGFR1MARK3
SCHEMBL3609665 0.68 CD274 (0.60) ROCK1MAP4K4FGFR1MARK3FLT4
SCHEMBL13502654 0.67 CDK8 (0.45) ROCK1ROCK2MAP4K4MARK3FLT4
SCHEMBL3603815 0.67 TNIK (0.49) ROCK1ROCK2MAP4K4FGFR1MARK3
SCHEMBL3596684 0.66 AURKB (0.56) ROCK1ROCK2AKT3MAPK1MAP4K4

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
US-7807688-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
US-20090137604-A1 TRI-HETEROCYCLIC COMPOUNDS AND A PHARMACEUTICAL COMPRISING THEM AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US disclosed
US-7459459-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-12-02 US disclosed
US-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-06-08 US disclosed
US-7034153-B2 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-25 US disclosed
EP-1354884-A1 TRICYCLIC AND HETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-22 EP 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 (3 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-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient NR3C1, CRHR2, CRHR1 ROCK1 3972/4885ROCK2 3311/4885AKT3 232/4885
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA ROCK1 1/4885ROCK2 2/4885AKT3 24/4885
US-20090137604-A1 TRI-HETEROCYCLIC COMPOUNDS AND A PHARMACEUTICAL COMPRISING THEM AS AN ACTIVE INGREDIENT NR3C1, CRHR2, CRHR1 ROCK1 3972/4885ROCK2 3311/4885AKT3 232/4885

“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.