SCHEMBL4284408

SCHEMBL4284408

c1cc(CNc2nc3ccc(-c4ccncn4)cc3s2)cc(OCCN2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
THPO P40225 1/20 0.51
MTOR P42345 1/20 0.51
RAB9A P51151 1/20 0.51
HIF1A Q16665 1/20 0.51
AURKB Q96GD4 15/20 0.51
PRKACA P17612 2/20 0.47
ROCK1 Q13464 2/20 0.47
MAP4K4 O95819 2/20 0.47
ROCK2 O75116 1/20 0.47
PRKCG P05129 1/20 0.47
LYN P07948 1/20 0.47
RPS6KB1 P23443 1/20 0.47
AKT1 P31749 1/20 0.47

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
SCHEMBL4282342 0.99 SMN1; SMN2 (0.53) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4283698 0.93 AURKB (0.60) AURKBROCK1ROCK2HDAC1
SCHEMBL4278966 0.89 AURKB (0.59) SMN1; SMN2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4283666 0.83 AURKB (0.63) AURKBPRKACAROCK1MAP4K4ROCK2
SCHEMBL4291617 0.79 CLK4 (0.57) MTORRAB9AAURKBPRKACAROCK1
SCHEMBL4280378 0.78 AURKB (0.58) AURKBROCK1ROCK2HDAC1
SCHEMBL4279183 0.77 AURKB (0.61) AURKBROCK1ROCK2HDAC1
SCHEMBL4286072 0.76 AURKB (0.56) AURKBROCK1ROCK2HDAC1
SCHEMBL4278779 0.76 AURKB (0.56) AURKBRPS6KB1HDAC1
SCHEMBL4289510 0.73 ROCK1 (0.63) CYP3A4CYP2D6MAPK1RAB9AAURKB

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 3 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

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 SMN1; SMN2 2487/4885TP53 1191/4885CYP1A2 2270/4885

“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.