SCHEMBL4278779

SCHEMBL4278779

c1cc(CNc2nc3ccc(-c4ncnc5[nH]ccc45)cc3s2)cc(OCCN2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 17/20 0.56
HDAC1 Q13547 1/20 0.51
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
PIK3CA P42336 1/20 0.44

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
SCHEMBL4286072 0.88 AURKB (0.56) AURKBHDAC1PIK3CA
SCHEMBL4283698 0.83 AURKB (0.60) AURKBHDAC1PIK3CA
SCHEMBL4283666 0.82 AURKB (0.63) AURKBHDAC1RPS6KB1
SCHEMBL4279183 0.82 AURKB (0.61) AURKBHDAC1PIK3CA
SCHEMBL4280378 0.78 AURKB (0.58) AURKBHDAC1
SCHEMBL4284408 0.76 SMN1; SMN2 (0.51) AURKBHDAC1RPS6KB1
SCHEMBL4282342 0.75 SMN1; SMN2 (0.53) AURKBRPS6KB1
SCHEMBL4278966 0.74 AURKB (0.59) AURKBRPS6KB1
SCHEMBL8350666 0.70 AURKB (0.78) AURKBHDAC1
SCHEMBL6919054 0.70 AURKB (0.77) AURKBHDAC1

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 2 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
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 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 (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 276/4885HDAC1 825/4885AURKA 346/4885

“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.