SCHEMBL4288050

SCHEMBL4288050

c1ccc(CCCNc2nc3ccc(-c4ccc5[nH]ncc5c4)cc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.57
AURKB Q96GD4 6/20 0.57
GSK3B P49841 6/20 0.52
ROCK1 Q13464 8/20 0.49
DYRK1A Q13627 5/20 0.49
CLK2 P49760 4/20 0.49
CLK4 Q9HAZ1 4/20 0.49
RPS6KB1 P23443 4/20 0.49
PKN2 Q16513 4/20 0.49
PRKACA P17612 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
SGK2 Q9HBY8 3/20 0.49
PRKX P51817 2/20 0.49
FLT3 P36888 2/20 0.49
MAP4K4 O95819 2/20 0.49
PRKCG P05129 1/20 0.49
LYN P07948 1/20 0.49
AKT1 P31749 1/20 0.49
CSNK1D P48730 1/20 0.49
IRAK1 P51617 1/20 0.49

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
SCHEMBL4288428 0.87 ROCK2 (0.67) ROCK2AURKBGSK3BROCK1DYRK1A
SCHEMBL4286988 0.81 MAP4K4 (0.74) ROCK2AURKBROCK1DYRK1ACLK2
SCHEMBL27834216 0.75 RAB9A (0.83) CSNK1DMAPK1NPC1RAB9ABCHE
SCHEMBL4283685 0.74 MAP4K4 (0.78) ROCK2AURKBROCK1DYRK1ACLK2
SCHEMBL3669334 0.72 ROCK2 (1.00) ROCK2AURKBGSK3BROCK1DYRK1A
SCHEMBL3800526 0.70 QPCT (0.58) ROCK2AURKBGSK3BDYRK1ACLK2
SCHEMBL24137561 0.69 ROCK2 (0.63) ROCK2AURKBGSK3BROCK1DYRK1A
SCHEMBL27739594 0.69 ROCK2 (0.46) ROCK2AURKBGSK3BROCK1DYRK1A
SCHEMBL3639415 0.68 ROCK2 (1.00) ROCK2AURKBGSK3BROCK1DYRK1A
SCHEMBL5305295 0.68 NPC1 (0.70) ROCK2AURKBROCK1DYRK1ACLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US claimed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO claimed
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US disclosed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 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 (1 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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA ROCK2 2/4885AURKB 276/4885GSK3B 113/4885

“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.