SCHEMBL4283698

SCHEMBL4283698

c1cc(CNc2nc3ccc(-c4ccncn4)cc3s2)cc(OCCN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 17/20 0.60
PIK3CA P42336 1/20 0.52
HDAC1 Q13547 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51

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
SCHEMBL4284408 0.93 SMN1; SMN2 (0.51) AURKBHDAC1ROCK2ROCK1
SCHEMBL4282342 0.92 SMN1; SMN2 (0.53) AURKBROCK2ROCK1
SCHEMBL4283666 0.90 AURKB (0.63) AURKBHDAC1ROCK2ROCK1
SCHEMBL4280378 0.85 AURKB (0.58) AURKBHDAC1ROCK2ROCK1
SCHEMBL4279183 0.85 AURKB (0.61) AURKBPIK3CAHDAC1ROCK2ROCK1
SCHEMBL4286072 0.83 AURKB (0.56) AURKBPIK3CAHDAC1ROCK2ROCK1
SCHEMBL4278779 0.83 AURKB (0.56) AURKBPIK3CAHDAC1
SCHEMBL4278966 0.82 AURKB (0.59) AURKBROCK2ROCK1
SCHEMBL4291617 0.77 CLK4 (0.57) AURKBPIK3CAROCK2ROCK1
SCHEMBL4284196 0.76 AURKB (0.64) AURKBROCK2ROCK1

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 AURKB 276/4885PIK3CA 293/4885HDAC1 825/4885

“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.