SCHEMBL5407783

SCHEMBL5407783

CC(=O)Oc1cc2cnn(C(C)=O)c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
CSNK1A1 P48729 1/20 0.49
GSK3A P49840 1/20 0.49
LIMK1 P53667 1/20 0.49
IKBKE Q14164 1/20 0.49
MAPK14 Q16539 1/20 0.49
TAOK1 Q7L7X3 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
ACHE P22303 1/20 0.38
KMT2A Q03164 2/20 0.36
CREBBP Q92793 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 1/20 0.34
HSP90AB1 P08238 2/20 0.34
NOTUM Q6P988 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL680218 0.84 CHEK1 (0.48) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1363384 0.82 CHEK1 (0.46) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4787452 0.78 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL21797005 0.77 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL836744 0.77 CHEK1 (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1542059 0.77 IKBKE (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL5413013 0.75 CHEK1 (0.48) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL21796520 0.75 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL18399231 0.75 CHEK1 (0.40) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL14514301 0.75 CHEK1 (0.61) CHEK1AURKADAPK3CSNK1A1GSK3A

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 CHEK1 1836/4885AURKA 1658/4885DAPK3 417/4885

“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.