SCHEMBL5404655

SCHEMBL5404655

COc1c(O[C@H]2CCC[C@@H](N)C2)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CHEK1 O14757 2/20 0.37
KCNH2 Q12809 2/20 0.37
ULK1 O75385 5/20 0.36
ROCK1 Q13464 3/20 0.36
PIM1 P11309 1/20 0.34
MAP4K1 Q92918 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
ROCK2 O75116 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ADRA1A P35348 1/20 0.32
LCK P06239 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL5404658 1.00 BRD4 (0.38) BRD4CHEK1KCNH2ULK1ROCK1
SCHEMBL5415577 1.00 BRD4 (0.38) BRD4CHEK1KCNH2ULK1ROCK1
SCHEMBL5415580 1.00 BRD4 (0.38) BRD4CHEK1KCNH2ULK1ROCK1
SCHEMBL5404650 1.00 BRD4 (0.38) BRD4CHEK1KCNH2ULK1ROCK1
SCHEMBL5401762 0.87 ULK1 (0.35) CHEK1KCNH2ULK1ROCK1PIM1
SCHEMBL5401766 0.87 ULK1 (0.35) CHEK1KCNH2ULK1ROCK1PIM1
SCHEMBL5401770 0.87 ULK1 (0.35) CHEK1KCNH2ULK1ROCK1PIM1
Hydrochloric Acid SCHEMBL5401712 0.86 ULK1 (0.34) CHEK1KCNH2ULK1ROCK1PIM1
Hydrochloric Acid SCHEMBL5401713 0.86 ULK1 (0.34) CHEK1KCNH2ULK1ROCK1PIM1
Hydrochloric Acid SCHEMBL5401706 0.86 ULK1 (0.34) CHEK1KCNH2ULK1ROCK1PIM1

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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 (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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA BRD4 2162/4885CHEK1 1836/4885KCNH2 3117/4885

“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.